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CHEBI:206155 - 3beta-hydroxyergosta-8,14,24(28)-trien-7-one

ChEBI IDCHEBI:206155
ChEBI Name3beta-hydroxyergosta-8,14,24(28)-trien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESC=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O)C(C)C
InChIInChI=1S/C28H42O2/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/h10,17,19-22,29H,3,7-9,11-16H2,1-2,4-6H3/t19-,20-,21+,22-,27+,28-/m1/s1
InChIKeyRSKIYANMYYETSH-JCUDMMKQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31382398)
ChEBI Ontology
Outgoing Relation(s)
3beta-hydroxyergosta-8,14,24(28)-trien-7-one (CHEBI:206155) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,11,12,16,17-decahydrocyclopenta[a]phenanthren-7-one
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77005956ChemSpider