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CHEBI:223363 - 7alpha-hydroxy-3-oxolanosta-8,24-diene

Default Structure
ChEBI IDCHEBI:223363
ChEBI Name7alpha-hydroxy-3-oxolanosta-8,24-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O
InChIInChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-12-17-30(8)26-22(13-16-29(21,30)7)28(6)15-14-25(32)27(4,5)24(28)18-23(26)31/h10,20-21,23-24,31H,9,11-18H2,1-8H3/t20-,21-,23-,24+,28-,29-,30+/m1/s1
InChIKeyLIEQTEMWFJJLBG-FOIRMDBVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (32733078)
ChEBI Ontology
Outgoing Relation(s)
7alpha-hydroxy-3-oxolanosta-8,24-diene (CHEBI:223363) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,7R,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one