Olean-12-ene-3,23,28-triol
Basic information
- CAS
117773-94-1- Standard SMILES
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(CO)C5CC[C@]43C)[C@H]2C1- InChIKey
GGJRJQAJVMFZIP-MPOMWCKWSA-N- Molecular formula
- C30H50O3
- Average molar mass
- 458.7 g/mol
- Monoisotopic mass
- 458.37599545
Names & identifiers
- Preferred name
- Olean-12-ene-3,23,28-triol
- IUPAC
- (3S,6aR,6bS,8aS,12aR,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Names & synonyms
SCHEMBL17332299DTXSID50922541Olean-12-ene-3,23,28-triol(5xi)-18alpha-Olean-12-ene-3beta,23,28-triol
Database identifiers
- CAS
117773-94-1- PubChem CID
- 154204
- DTXSID
DTXSID50922541
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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