InCHi String:
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
PubChem Substance (SID):
85165329 12146108 47213246PubChem Compound (CID):
5870KEGG: Compound ID
D00067CAS Registry IDs: 37242-41-4 53-16-7
PDB Chemical Component
J3ZMiscellaneous Databases and IDs:
Sigma-Aldrich E9750_SIGMA
ChEBI CHEBI:17263 HSDB 3324
ChemIDplus 000053167
ChemSpider 5660
EINECS 200-164-5
CCRIS 285
NIAID 031083
EPA DSSTox 22367
BindingDB 17289
LipidMAPS LMST02010004
ZINC ZINC03815416
Structural Genomics Consortium to_000049
Beilstein Handbook Reference 3-08-00-01171
NCGC NCGC00179433-03
MMCD cq_00328
MDL MFCD00003620
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
