1-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-hydroxyethan-1-one
Basic information
- CAS
4906-84-7- Standard SMILES
CC1=C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC(C)[C@]3(O)C(=O)CO)[C@@]2(C)Cc3cnn(-c4ccccc4)c3C=C12- InChIKey
FKAINCOIINXAOK-ZRLAKYCRSA-N- Molecular formula
- C30H36N2O4
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.26750763
Names & identifiers
- Preferred name
- 1-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-hydroxyethan-1-one
- IUPAC
- 1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-hydroxyethanone
Names & synonyms
DTXSID20964155NSC3253161-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-hydroxyethan-1-one1-[(1R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethan-1-one2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-, (11.beta.,16.alpha.)-
Database identifiers
- CAS
4906-84-7- PubChem CID
- 331608
- DTXSID
DTXSID20964155
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 987
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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