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CHEBI:166784 - Campesterol ester(18:2)

ChEBI IDCHEBI:166784
ChEBI NameCampesterol ester(18:2)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O2
Net Charge0
Average Mass663.128
Monoisotopic Mass662.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](C)C(C)C
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/h12-13,15-16,26,35-37,39-43H,8-11,14,17-25,27-34H2,1-7H3/b13-12-,16-15-/t36-,37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
InChIKeyDWTYTVTUGPAKRN-MRDGGECFSA-N
ChEBI Ontology
Outgoing Relation(s)
Campesterol ester(18:2) (CHEBI:166784) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
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