(17S)-17-Methyl-17-[(2R)-6-methylheptan-2-yl]-15,16-dihydrocyclopenta[a]phenanthrene
Basic information
- CAS
80382-29-2- Standard SMILES
CC(C)CCC[C@@H](C)[C@]1(C)CCc2c1ccc1c2ccc2ccccc21- InChIKey
STIPHXSJCFYNDG-BCHFMIIMSA-N- Molecular formula
- C26H32
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.25040102
Names & identifiers
- Preferred name
- (17S)-17-Methyl-17-[(2R)-6-methylheptan-2-yl]-15,16-dihydrocyclopenta[a]phenanthrene
- IUPAC
- (17S)-17-methyl-17-[(2R)-6-methylheptan-2-yl]-15,16-dihydrocyclopenta[a]phenanthrene
- English name
- C26 TRIAROMATIC STERANE
- Molecular formula
- C26H32
- Molecular weight
- 344.53
Names & synonyms
80382-29-2(17S)-17-Methyl-17-[(2R)-6-methylheptan-2-yl]-15,16-dihydrocyclopenta[a]phenanthreneC26 Triaromatic sterane, 20RDTXSID501359944(17alpha)-17-Methyl-18,19-dinorcholesta-1,3,5,7,9,11,13-heptaene18,19-Dinorcholesta-1,3,5,7,9,11,13-heptaene,17-methyl-, (17a)-(9CI)C26 TRIAROMATIC STERANEC26 Triaromatic sterane in isooctane18,19-Dinorcholesta-1,3,5,7,9,11,13-heptaene, 17-methyl-, (17α)-
Database identifiers
- CAS
80382-29-2- PubChem CID
- 90477293
- DTXSID
DTXSID501359944
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 477.8 · 477.8±15.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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