Research chemical
CAS Number: 68331-86-2
Product details
PubChem CID
155029
Exact Mass
740.434692
InChIKey
GUSVHVVOABZHAH-KIHSSYRVSA-N
IUPAC Name
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'R,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES String
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 4-O-alpha-D-glucopyranosyl- is identified by CAS 68331-86-2, with molecular formula C39H64O13, molecular weight 740.9, InChIKey GUSVHVVOABZHAH-KIHSSYRVSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
13
H-bond donors
7
Rotatable bonds
6
Ring count
8
Aromatic rings
0
Topological polar surface area
196.99 Ų
Computed LogP
1.44
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
beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 4-O-alpha-D-glucopyranosyl- (CAS 68331-86-2) is maintained as a commercial cas reference with formula C39H64O13, molecular weight 740. 90 g/mol, PubChem CID 155029.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
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.