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CHEBI:216051 - (+)-(5alpha,24E)-3beta-acetoxyllanosta-8,24-dien-7-oxo-26-AL

Default Structure
ChEBI IDCHEBI:216051
ChEBI Name(+)-(5alpha,24E)-3beta-acetoxyllanosta-8,24-dien-7-oxo-26-AL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILESC/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C31H46O4/c1-20(18-32)9-8-10-21(2)22-11-16-31(7)27-23(12-15-30(22,31)6)29(5)14-13-26(35-19-33)28(3,4)25(29)17-24(27)34/h9,18-19,21-22,25-26H,8,10-17H2,1-7H3/b20-9+/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKeyYIPMXAHKTHCEPU-UMLVKMKYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma luteomarginatum (ncbitaxon:1579231) - PubMed (30240975)
ChEBI Ontology
Outgoing Relation(s)
(+)-(5alpha,24E)-3beta-acetoxyllanosta-8,24-dien-7-oxo-26-AL (CHEBI:216051) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ormate
Manual XrefsDatabases
78442209ChemSpider