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CHEBI:227158 - (22S,24E)-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227158
ChEBI Name(22S,24E)-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O8
Net Charge0
Average Mass614.820
Monoisotopic Mass614.38187
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C36H54O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11,21,27-31H,12-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29-,30-,31-,34+,35+,36+/m0/s1
InChIKeyQVHGIUQGGQQDBS-YMFHRCEFSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid (CHEBI:227158) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
58913398ChemSpider