InCHi String:
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
PUBCHEM iupac SYSTEMATIC NAME(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
PubChem Substance (SID):
85165267 8144717 110315PubChem Compound (CID):
5994KEGG: Compound ID
D00066CAS Registry IDs: 8023-13-0 753497-20-0 8012-32-6 57-83-0 257630-50-5
PDB Chemical Component
STRMiscellaneous Databases and IDs:
Sigma-Aldrich P0130_SIGMA
ChEBI CHEBI:17026 EPA DSSTox 33926
ChemBank BSPBio_000614
HSDB 3389
ZINC ZINC03814383
PDSP Prestwick_411
ChemIDplus 000057830
EINECS 200-350-6
CCRIS 533
DTP/NCI 64377
MMCD cq_02367
MDL MFCD00003658
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
