Basic information
- CAS
154530-28-6- Standard SMILES
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O- InChIKey
KARJYEFWQSCVDN-PDBKWFMTSA-N- Molecular formula
- C27H42O4
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.30830982
Names & identifiers
- Preferred name
- (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3R,4S)-4-Cyclopropyl-3,4-dihydroxy-1-methylbutyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
- IUPAC
- trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4R,5S)-5-cyclopropyl-4,5-dihydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Names & synonyms
DTXSID401099050(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3R,4S)-4-Cyclopropyl-3,4-dihydroxy-1-methylbutyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol154530-28-6
Database identifiers
- CAS
154530-28-6- PubChem CID
- 165366169
- DTXSID
DTXSID401099050
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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