Basic information
- CAS
128741-29-7- Standard SMILES
CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C(=O)C2O- InChIKey
BXNFTNLOFARFOZ-WVGSSIFTSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Names & identifiers
- Preferred name
- (4bS,8aS)-4b,6,7,8,8a,10-Hexahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-9(5H)-phenanthrenone
- IUPAC
- (4bS,8aS)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one
Names & synonyms
DTXSID001110840(4bS,8aS)-4b,6,7,8,8a,10-Hexahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-9(5H)-phenanthrenone128741-29-7
Database identifiers
- CAS
128741-29-7- PubChem CID
- 165367653
- DTXSID
DTXSID001110840
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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