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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (22E,24R)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
ChEBI ID CHEBI:215096
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O3
Net Charge 0
Average Mass 424.625
Monoisotopic Mass 424.29775
InChI InChI=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
InChIKey ZYMLXUQIZWMDND-SMDPGSKESA-N
SMILES O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@@H]4O)(C)CC[C@@]3([C@@]2(C)CC1)O
ChEBI Ontology
Outgoing (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
Manual Xref Database
113385244 ChemSpider
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