InCHi String:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
canonical SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
PubChem Substance (SID):
111677803 24702275 24278369PubChem Compound (CID):
5881KEGG: Compound ID
C01227CAS Registry IDs: 53-43-0
PDB Chemical Component
ANDMiscellaneous Databases and IDs:
Sigma-Aldrich D4000_SIGMA
ChEBI CHEBI:28689 EPA DSSTox 48799
LipidMAPS LMST02020021
ZINC ZINC03807917
NIH Clinical Collection SAM001246922
SMID AND
MMCD cq_00842
MDL MFCD00003613
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
