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CHEBI:218628 - 3beta,9alpha,14alpha-trihydroxy-(22E,24R)-ergost-22-en-7-one

ChEBI IDCHEBI:218628
ChEBI Name3beta,9alpha,14alpha-trihydroxy-(22E,24R)-ergost-22-en-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)[C@@H](C)/C=C/C(C)[C@@H]1CC[C@@]2(O)C3C(=O)CC4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-10-12-27(31)24-23(30)16-20-15-21(29)9-11-25(20,5)28(24,32)14-13-26(22,27)6/h7-8,17-22,24,29,31-32H,9-16H2,1-6H3/b8-7+/t18-,19?,20?,21-,22-,24?,25-,26+,27+,28+/m0/s1
InChIKeyHYGBHWPLEUKJIK-LUMGQHEXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma philippii (ncbitaxon:256320) - PubMed (28508676)
ChEBI Ontology
Outgoing Relation(s)
3beta,9alpha,14alpha-trihydroxy-(22E,24R)-ergost-22-en-7-one (CHEBI:218628) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9R,10S,13R,14R,17S)-17-[(E,5R)-5,6-dimethylhept-3-en-2-yl]-3,9,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
78443781ChemSpider