InCHi String:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)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,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
PubChem Substance (SID):
111677781 7847173 57288708PubChem Compound (CID):
5757KEGG: Compound ID
D00105CAS Registry IDs: 50-28-2
PDB Chemical Component
ESTMiscellaneous Databases and IDs:
Sigma-Aldrich E8875_SIGMA
ChEBI CHEBI:16469 EPA DSSTox 57773
LipidMAPS LMST02010001
BioCyc CPD-352
MMCD cq_00648
MDL MFCD00003693
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
