Research chemical
CAS Number: 313054-32-9
![[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl] acetate molecular structure, CAS 313054-32-9](/structure-images/313054-32-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
171363654
Exact Mass
912.471865
InChIKey
LERALCVLYDPIAD-RFGQQGEBSA-N
SMILES String
CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O)[C@@H]2OC2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl] acetate is identified by CAS 313054-32-9, with molecular formula C46H72O18, molecular weight 913.1, InChIKey LERALCVLYDPIAD-RFGQQGEBSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Heavy atom count
64
H-bond acceptors
18
H-bond donors
8
Rotatable bonds
8
Ring count
9
Aromatic rings
0
Topological polar surface area
261.98 Ų
Computed LogP
0.54
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
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10. 8. 0. 02,9. 04,8.
Sourcing 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.
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Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.