(3S,5R,13R,14S)-4,4,13,14-Tetramethyl-17-(1,4,5-trimethyl-hex-5-enyl)-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-ol
Basic information
- CAS
511-61-5- Standard SMILES
C=C(C)C(C)CCC(C)C1CC[C@@]2(C)C3CC[C@H]4C(C)(C)[C@@H](O)CCC45CC35CC[C@]12C- InChIKey
IXHACUTUTOCSJE-RFUNBEIPSA-N- Molecular formula
- C31H52O
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.40181628
Names & identifiers
- Preferred name
- (3S,5R,13R,14S)-4,4,13,14-Tetramethyl-17-(1,4,5-trimethyl-hex-5-enyl)-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-ol
- IUPAC
- (6S,8R,12S,16R)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
tetramethyl(1,4,5-trimethylhex-5-enyl)[?]ol(3S,5R,13R,14S)-4,4,13,14-Tetramethyl-17-(1,4,5-trimethyl-hex-5-enyl)-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
511-61-5- PubChem CID
- 466376
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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