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CHEBI:199826 - 3beta,5alpha-dihydroxy-(22E,24R)-ergosta-22-en-7-one-6beta-yl oleate

ChEBI IDCHEBI:199826
ChEBI Name3beta,5alpha-dihydroxy-(22E,24R)-ergosta-22-en-7-one-6beta-yl oleate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O5
Net Charge0
Average Mass711.125
Monoisotopic Mass710.58493
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
InChIInChI=1S/C46H78O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)51-43-42(49)41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(43,45)50/h15-16,24-25,33-39,41,43,47,50H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,38-,39-,41-,43+,44+,45+,46-/m0/s1
InChIKeyYEFGYSYQDJVEFQ-NFCNPGOKSA-N
Species of MetaboliteComponentSourceComments
Tricholomopsis rutilans (ncbitaxon:151294) - PubMed (15631869)
ChEBI Ontology
Outgoing Relation(s)
3beta,5alpha-dihydroxy-(22E,24R)-ergosta-22-en-7-one-6beta-yl oleate (CHEBI:199826) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-7-oxo-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
10193384ChemSpider