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CHEBI:199001 - 3beta-linoleyloxyergosta-7-ene

ChEBI IDCHEBI:199001
ChEBI Name3beta-linoleyloxyergosta-7-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O2
Net Charge0
Average Mass663.128
Monoisotopic Mass662.60018
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]32)C1
InChIInChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,27,35-39,41-43H,8-11,14,17-26,28-34H2,1-7H3/b13-12-,16-15-/t36-,37+,38-,39-,41+,42-,43-,45-,46+/m0/s1
InChIKeyXXLILNVFRASZGT-SPGKEBDDSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1016/s0031-9422(00)00165-5)
ChEBI Ontology
Outgoing Relation(s)
3beta-linoleyloxyergosta-7-ene (CHEBI:199001) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
78442467ChemSpider