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CHEBI:183551 - 24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one

ChEBI IDCHEBI:183551
ChEBI Name24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILES[H][C@]1([C@H](C)/C=C/C(C)C)CC[C@@H](C2=C[C@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCOC(C)=O
InChIInChI=1S/C28H44O5/c1-17(2)7-8-18(3)22-9-10-23(27(22,5)13-14-33-19(4)29)21-16-25(31)24-15-20(30)11-12-28(24,6)26(21)32/h7-8,16-18,20,22-25,30-31H,9-15H2,1-6H3/b8-7+/t18-,20+,22-,23+,24-,25+,27-,28+/m1/s1
InChIKeyHURHMFSVMAENRK-NQZWFRJXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one (CHEBI:183551) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-[(1R,2R,5R)-2-[(4S,4aS,6S,8aS)-4,6-dihydroxy-8a-methyl-1-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]-1-methyl-5-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]ethyl acetate
Manual XrefsDatabases
LMST03020680LIPID MAPS
8542456ChemSpider