Basic information
- CAS
65694-19-1- Standard SMILES
CC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)C1CC3- InChIKey
YRXIDKUVBPMNRA-MTFDIZHISA-N- Molecular formula
- C30H52O6
- Average molar mass
- 508.7 g/mol
- Monoisotopic mass
- 508.37638937
Names & identifiers
- Preferred name
- Lanost-8-ene-2,3,12,21,24,25-hexol
- IUPAC
- (2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
- English name
- fasciculol C
- Molecular formula
- C30H52O6
- Molecular weight
- 508.73
Names & synonyms
SCHEMBL23699009DTXSID80984238Lanost-8-ene-2,3,12,21,24,25-hexol(5xi,24R)-Lanost-8-ene-2alpha,3beta,12alpha,21,24,25-hexolfasciculol C(24R)-5α-Lanost-8-ene-2α,3β,12α,21,24,25-hexaolLanost-8-ene-2,3,12,21,24,25-hexol, (2α,3β,12α,24R)-
Database identifiers
- CAS
65694-19-1- PubChem CID
- 128264
- DTXSID
DTXSID80984238
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 881
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Fasciculol C is a triterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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