InCHi String:
InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
PubChem Substance (SID):
85165324 11486037 10321647PubChem Compound (CID):
5879KEGG: Compound ID
C00523CAS Registry IDs: 53-41-8
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich 219010_ALDRICH
ChEBI CHEBI:16032 ChemIDplus 000053418
Caswell No. 051G
Shanghai Institute of Organic Chemistry 1x8j
ChemSpider 5668
MMDB 31956.7
EINECS 200-173-4
DTP/NCI 9898
EPA Pesticide Chemical Code 126501
LipidMAPS LMST02020001
ZINC ZINC03861550
PDSP Prestwick_689
Beilstein Handbook Reference 4-08-00-00642
NCGC NCGC00161664-02
MMCD cq_00374
MDL MFCD00003618
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
