EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166818 - Stigmasta-7,22E,25-trien-3beta-ol

ChEBI IDCHEBI:166818
ChEBI NameStigmasta-7,22E,25-trien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O
Net Charge0
Average Mass410.686
Monoisotopic Mass410.35487
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/[C@@H](CC)C(=C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H46O/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/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKeyIMWBKGMKWXIXEQ-FXIAWGAOSA-N
ChEBI Ontology
Outgoing Relation(s)
Stigmasta-7,22E,25-trien-3beta-ol (CHEBI:166818) has parent hydride stigmastane (CHEBI:26773)
Stigmasta-7,22E,25-trien-3beta-ol (CHEBI:166818) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01040138LIPID MAPS
4446748ChemSpider