InCHi String:
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
isomeric SMILES: CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
PUBCHEM iupac NAME(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PUBCHEM iupac CAS NAME(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PUBCHEM iupac SYSTEMATIC NAME(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem Substance (SID):
85165309 14714927 11029PubChem Compound (CID):
5281330KEGG: Compound ID
C08836CAS Registry IDs: 481-16-3
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich S2424_SIGMA
ChemSpider 4444707
LipidMAPS LMST01040130
ZINC ZINC02539633
MMCD cq_03039
MDL MFCD00003630
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
