3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
Basic information
- CAS
72007-69-3- Standard SMILES
Cc1cc2c(c3ccc4c(c13)C=C[C@H](O)[C@H]4O)CCC2=O- InChIKey
RAXAPVOXQLFSFL-WMZOPIPTSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Overview
RN given refers to (trans)-isomer
Names & identifiers
- Preferred name
- 3,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
- IUPAC
- (3S,4S)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
- English name
- 3,4,15,16-tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one
- Molecular weight
- 0
Names & synonyms
Tdmcpo72007-69-33,4,15,16-Tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one3,4-Dihydroxy-11-methyl-3,4,15,16-tetrahydroxycyclopenta(a)phenanthren-17-oneRefChem:90864(3S,4S)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-oneDTXSID209926903,4-Dihydroxy-11-methylgona-1,5(10),6,8(14),9(11),12-hexaen-17-one3beta,4alpha-Dihydroxy-11-methylgona-1,5(10),6,8(14),9(11),12-hexaen-17-one17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-11-methyl-, trans-
Database identifiers
- CAS
72007-69-3- PubChem CID
- 126352
- DTXSID
DTXSID20992690
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
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Related reactions
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Compound notes
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