InCHi String:
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
isomeric SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem Substance (SID):
85165277 8143588 24868972PubChem Compound (CID):
444679KEGG: Compound ID
C01694CAS Registry IDs: 57-87-4
PDB Chemical Component
ERGMiscellaneous Databases and IDs:
Sigma-Aldrich 45480_FLUKA
ChEBI CHEBI:16933 ChemBank ACon0_000429
LipidMAPS LMST01030093
ZINC ZINC04084618
MMDB 55679.2
MMCD cq_01089
MDL MFCD00003623
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
