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Home/Compounds/CAS 479-98-1
Formula C15H22O9MW 346.33Research-use catalog entryCOA/SDS by request

Aucubin

CAS Number: 479-98-1

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Loading RDKit molecule structure...
InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-NC15H22O9 | MW 346.33

Chemical Absolute Identifiers

CAS Number

479-98-1

PubChem CID

91458

Molecular Formula

C15H22O9

Molecular Weight

346.33 g/mol

Exact Mass

346.126382

InChIKey

RJWJHRPNHPHBRN-FKVJWERZSA-N

IUPAC Name

(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES String

C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Aucubin (CAS 479-98-1) is listed in the Advanced Chemicals portfolio, with molecular formula C15H22O9 and molecular weight 346. 33 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Prostaglandin G/H synthase 1 (Homo sapiens) — 3 assays; Prostaglandin G/H synthase 2 (Homo sapiens) — 3 assays; Estrogen receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Prostaglandin G/H synthase 1

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 2

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Estrogen receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
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Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution with a waste disposal license to handle this substance.
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Fire Fighting

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Accidental Release

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For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Aucubin

Names & Synonyms

1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranosideaucubuside(2S,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta(c)pyran-1-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triolAucubosideAucubine
Show all synonyms
(2S,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol(1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside[1S-(1alpha,4aalpha,5alpha,7aalpha)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-D-glucopyranoside6-EpiaucubinAucubin (Standard)Aucubin (Rhinanthin)AUCUBIN [MI]MEGxp0_001729ACon1_002452s5459AJ-292/21168052
External Identifiers
EC NUMBER: 207-540-8DSSTOX SUBSTANCE ID: DTXSID60963965CHEMBL ID: CHEMBL514882CHEBI ID: CHEBI:69796UNII: 2G52GS8UMLKEGG ID: C09771METABOLOMICS WORKBENCH ID: 28058WIKIDATA ID: Q418014
Literature & Patent References
DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/acs.jnatprod.5b01126Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.PMID 26859776Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.DOI 10.1016/j.bmcl.2015.08.075In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.PMID 26351040In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.DOI 10.1016/j.bmc.2012.09.040Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.DOI 10.1016/j.bmcl.2011.11.041Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

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Text Reference Cues

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Non-public related references

Scandoside, methyl esterCAS 27530-67-2
Geniposidic AcidCAS 27741-01-1
CellobioseCAS 528-50-7
CellotrioseCAS 33404-34-1
4-Aminophenyl-beta-galactosideCAS 5094-33-7

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 27530-67-2Scandoside, methyl esterCAS 27741-01-1Geniposidic AcidCAS 528-50-7CellobioseCAS 33404-34-1CellotrioseCAS 169590-42-5CelecoxibCAS 181695-72-7ValdecoxibCAS 22204-53-1NaproxenCAS 10083-24-6PiceatannolCAS 118-10-5(S)-Quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol , CinchonineCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

RFQ questions for CAS 479-98-1

What are the key identifiers for Aucubin (CAS 479-98-1)?

Aucubin is identified by CAS 479-98-1, with molecular formula C15H22O9, molecular weight 346.33, InChIKey RJWJHRPNHPHBRN-FKVJWERZSA-N.

Does CAS 479-98-1 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Prostaglandin G/H synthase 1, Prostaglandin G/H synthase 2, Estrogen receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 479-98-1?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Aucubin?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 479-98-1 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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