Basic information
- CAS
42123-07-9- Standard SMILES
CC(=O)O[C@H]1Cc2c(cc(C)c3c2ccc2ccccc23)[C@H]1OC(C)=O- InChIKey
YBRVMFGQBNDICU-RBBKRZOGSA-N- Molecular formula
- C22H20O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13615911
Names & identifiers
- Preferred name
- 15H-Cyclopenta(a)phenanthrene-16,17-diol, 16,17-dihydro-11-methyl-, diacetate, cis-
- IUPAC
- [(16S,17R)-17-acetyloxy-11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthren-16-yl] acetate
Names & synonyms
42123-07-915H-Cyclopenta(a)phenanthrene-16,17-diol, 16,17-dihydro-11-methyl-, diacetate, cis-DTXSID4096229415H-Cyclopenta(a)phenanthrene-16,17-diol, 16,17-dihydro-11-methyl-, diacetate, trans-42123-08-011-Methylgona-1(10),2,4,6,8(14),9(11),12-heptaene-16,17-diyl diacetate11-Methyl-16beta,17beta-gona-1(10),2,4,6,8(14),9(11),12-heptaene-16,17-diyl diacetate
Database identifiers
- CAS
42123-07-9、42123-08-0- PubChem CID
- 181724
- DTXSID
DTXSID40962294
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…