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CHEBI:213731 - (5alpha,6beta,15beta,22E)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one

ChEBI IDCHEBI:213731
ChEBI Name(5alpha,6beta,15beta,22E)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCCO[C@@H]1C=C2[C@@H]3[C@H](O)C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@]12O
InChIInChI=1S/C30H48O4/c1-8-34-26-15-22-23(29(7)14-11-21(31)17-30(26,29)33)12-13-28(6)24(16-25(32)27(22)28)20(5)10-9-19(4)18(2)3/h9-10,15,18-20,23-27,32-33H,8,11-14,16-17H2,1-7H3/b10-9+/t19-,20+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKeyFPESVMYWFTWXKH-BLMRKQJBSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (23847072)
ChEBI Ontology
Outgoing Relation(s)
(5alpha,6beta,15beta,22E)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one (CHEBI:213731) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(5R,6R,9S,10R,13R,14R,15R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-ethoxy-5,15-dihydroxy-10,13-dimethyl-2,4,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
78441327ChemSpider