Basic information
- CAS
69748-51-2- Standard SMILES
CC1(C)CCC[C@]2(C)c3ccc(O)c(O)c3CC[C@@H]12- InChIKey
UCOVNMMLWVAZJH-WMLDXEAASA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Names & identifiers
- Preferred name
- 1,2-Phenanthrenediol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-
- IUPAC
- (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,2-diol
- English name
- 1,2-Phenanthrenediol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-
- Molecular weight
- 0
Names & synonyms
69748-51-2RefChem:4121241,2-Phenanthrenediol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-UCOVNMMLWVAZJH-WMLDXEAASA-N(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,2-diolPodocarpa-8,11,13-trien-13,14-diol
Database identifiers
- CAS
69748-51-2- PubChem CID
- 484396
- Nikkaji
- J2.589.851F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information1,2-Phenanthrenediol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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