17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-11-(trifluoromethyl)-,trans-
Basic information
- CAS
151109-62-5- Standard SMILES
O=C1CCc2c1cc(C(F)(F)F)c1c3c(ccc21)[C@H](O)[C@@H](O)C=C3- InChIKey
OZBPWRCACKMNBI-RDJZCZTQSA-N- Molecular formula
- C18H13F3O3
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.08167876
Names & identifiers
- Preferred name
- 17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-11-(trifluoromethyl)-,trans-
- IUPAC
- (3S,4S)-3,4-dihydroxy-11-(trifluoromethyl)-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
GH6YL4NJA6151109-62-517H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-11-(trifluoromethyl)-,trans-CCRIS-61673,4-Dihydroxy-3,4,15,16-tetrahydro-11-trifluoromethylcyclopenta(a)phenanthren-17-oneCCRIS 6167UNII-GH6YL4NJA6CCRIS6167DTXSID40164711OZBPWRCACKMNBI-RDJZCZTQSA-N3beta,4alpha-Dihydroxy-11-(trifluoromethyl)gona-1,5(10),6,8(14),9(11),12-hexaen-17-one(3S,4S)-3,4-DIHYDROXY-11-(TRIFLUOROMETHYL)-3,4,15,16-TETRAHYDROCYCLOPENTA(A)PHENANTHREN-17-ONE
Show more names
17H-CYCLOPENTA(A)PHENANTHREN-17-ONE, 3,4,15,16-TETRAHYDRO-3,4-DIHYDROXY-11-(TRIFLUOROMETHYL)-, TRANS-3,4-DIHYDROXY-3,4,15,16-TETRAHYDRO-11-TRIFLUOROMETHYLCYCLOPENTA[A]PHENANTHREN-17-0NE
Database identifiers
- CAS
151109-62-5- PubChem CID
- 154651
- DTXSID
DTXSID40164711- UNII
- GH6YL4NJA6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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