InCHi String:
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PUBCHEM iupac SYSTEMATIC NAME(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem Substance (SID):
111677743 841444 47870805PubChem Compound (CID):
6238KEGG: Compound ID
C01176CAS Registry IDs: 68-96-2
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich H5752_SIGMA
ChEBI CHEBI:17252 ChemBank Lopac0_000565
Emory University Molecular Libraries Screening Center EU-0100565
HSDB 3343
ZINC ZINC03875457
ChemIDplus 000068962
ChemSpider 6002
BIND 746
EINECS 200-699-4
Beilstein Handbook Reference 4-08-00-02189
MMCD cq_00806
MDL MFCD00003659
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
