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CHEBI:216037 - (+)-(5alpha,24E)-3beta-acetoxyllanosta-7,9(11),24-triene-26-OL

Default Structure
ChEBI IDCHEBI:216037
ChEBI Name(+)-(5alpha,24E)-3beta-acetoxyllanosta-7,9(11),24-triene-26-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O3
Net Charge0
Average Mass468.722
Monoisotopic Mass468.36035
SMILESC/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC=O)CC[C@]4(C)C3=CC[C@]12C)CO
InChIInChI=1S/C31H48O3/c1-21(19-32)9-8-10-22(2)23-13-17-31(7)25-11-12-26-28(3,4)27(34-20-33)15-16-29(26,5)24(25)14-18-30(23,31)6/h9,11,14,20,22-23,26-27,32H,8,10,12-13,15-19H2,1-7H3/b21-9+/t22-,23-,26+,27+,29-,30-,31+/m1/s1
InChIKeyKLERAWCDVJYHNH-KOKLGGJKSA-N
Species of MetaboliteComponentSourceComments
Ganoderma luteomarginatum (ncbitaxon:1579231) - PubMed (30240975)
ChEBI Ontology
Outgoing Relation(s)
(+)-(5alpha,24E)-3beta-acetoxyllanosta-7,9(11),24-triene-26-OL (CHEBI:216037) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ormate
Manual XrefsDatabases
78442207ChemSpider