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CHEBI:215096 - (22E,24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one

ChEBI IDCHEBI:215096
ChEBI Name(22E,24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C
InChIInChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)23-16-24(30)25-22-10-9-20-15-21(29)11-12-27(20,6)28(22,31)14-13-26(23,25)5/h7-10,15,17-19,23-24,30-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,23+,24-,26+,27-,28+/m0/s1
InChIKeyZYMLXUQIZWMDND-SMDPGSKESA-N
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one (CHEBI:215096) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9S,10S,13R,15S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-9,15-dihydroxy-10,13-dimethyl-2,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-one
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