Basic information
- CAS
5335-55-7- Standard SMILES
CC(C)C1CCC2(C)C(CCC3C(C)(CO)CCCC32O)C1- InChIKey
ZWDCUZKMRDIFAX-UHFFFAOYSA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Names & identifiers
- Preferred name
- 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol
- IUPAC
- 1-(hydroxymethyl)-1,4b-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a,9,10,10a-decahydro-2H-phenanthren-4a-ol
Names & synonyms
5335-55-71-(hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-olNSC2960DTXSID30277581NSC-2960TETRADECAHYDRO-4A.ALPHA.-HYDROXY-7-ISOPROPYL-1.BETA.,4B.BETA.-DIMETHYL-1-PHENANTHRENEMETHANOL
Database identifiers
- CAS
5335-55-7- PubChem CID
- 220342
- DTXSID
DTXSID30277581
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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