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CHEBI:207485 - 3-hydroxyl-(22E, 24R)-ergosta-5,8,14,22-tetraen-7-one

ChEBI IDCHEBI:207485
ChEBI Name3-hydroxyl-(22E, 24R)-ergosta-5,8,14,22-tetraen-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
InChIInChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,10,16-19,21-22,29H,9,11-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,27-,28+/m0/s1
InChIKeyDKQZQDPIMDUDSP-VKAJVSLQSA-N
Species of MetaboliteComponentSourceComments
Rhizopusspecies (ncbitaxon:1914426) - PubMed (17900642)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyl-(22E, 24R)-ergosta-5,8,14,22-tetraen-7-one (CHEBI:207485) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one
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26949201ChemSpider