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CHEBI:227885 - (22E,24R)-ergosta-5,8,22-trien-3beta,11alpha-dihydroxyl-7-one

ChEBI IDCHEBI:227885
ChEBI Name(22E,24R)-ergosta-5,8,22-trien-3beta,11alpha-dihydroxyl-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
InChIInChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h7-8,14,16-18,20-22,24,29,31H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20-,21+,22-,24+,27-,28+/m0/s1
InChIKeyKPKCLDNQTAXYMW-XTDFTDELSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (31494344)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-ergosta-5,8,22-trien-3beta,11alpha-dihydroxyl-7-one (CHEBI:227885) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,10S,11R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one