Research chemical
CAS Number: 188350-29-0
![(4aS,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-6-[[2,3,6-tri-O-acetyl-4-O-[3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-hydroxybenzoyl]-beta-D-glucopyranosyl]oxy]-1H,3H-pyrano[3,4-c]pyran-1-one molecular structure, CAS 188350-29-0](/structure-images/188350-29-0.png?v=struct-v3)
Product details
PubChem CID
162963878
Exact Mass
944.279767
InChIKey
KSEGFPBHGPMGNK-JRIGLBGXSA-N
IUPAC Name
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
SMILES String
C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)c3cccc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C2C(=O)OCC[C@H]21
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(4aS,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-6-[[2,3,6-tri-O-acetyl-4-O-[3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-hydroxybenzoyl]-beta-D-glucopyranosyl]oxy]-1H,3H-pyrano[3,4-c]pyran-1-one is identified by CAS 188350-29-0, with molecular formula C41H52O25, molecular weight 944.8, InChIKey KSEGFPBHGPMGNK-JRIGLBGXSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
66
H-bond acceptors
25
H-bond donors
8
Rotatable bonds
15
Ring count
6
Aromatic rings
1
Topological polar surface area
357.95 Ų
Computed LogP
-3.31
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
80 g/mol, PubChem CID 162963878.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.