Basic information
- CAS
41756-41-6- Standard SMILES
C=CC1(C)CC[C@H]2C(O)(CCC3[C@@](C)(CO)CCC[C@@]32C)C1- InChIKey
RIQATFSOVFFVRX-YSCDCMPLSA-N- Molecular formula
- C20H34O2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.25588032
Names & identifiers
- Preferred name
- (1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
- IUPAC
- (1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
Names & synonyms
Akhdariol(1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol41756-41-6Pimar-15-ene-8,18-diolSCHEMBL30780865DTXSID70961957(5xi,8xi,13xi)-pimar-15-ene-8,19-diol
Database identifiers
- CAS
41756-41-6- PubChem CID
- 181708
- DTXSID
DTXSID70961957
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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