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CAS Number: 104987-12-4
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CAS Number
104987-12-4
PubChem CID
5282071
Molecular Formula
C43H69NO12
Molecular Weight
792 g/mol
Exact Mass
791.481977
InChIKey
ZDQSOHOQTUFQEM-NURRSENYSA-N
IUPAC Name
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
SMILES String
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Ascomycin (CAS 104987-12-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C43H69NO12 and molecular weight 792. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens) — 6 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Peptidyl-prolyl cis-trans isomerase FKBP1A
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 6 documents · best pChEMBL 8.8
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Ascomycin is identified by CAS 104987-12-4, with molecular formula C43H69NO12, molecular weight 792, InChIKey ZDQSOHOQTUFQEM-NURRSENYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Peptidyl-prolyl cis-trans isomerase FKBP1A, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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