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CHEBI:207344 - (22S,24E)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207344
ChEBI Name(22S,24E)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O9
Net Charge0
Average Mass630.819
Monoisotopic Mass630.37678
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O
InChIInChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+/t20-,25+,26-,27+,28-,29-,30-,34+,35+,36-/m0/s1
InChIKeyGHQBLEWBYHWXAC-PRMUBRKNSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid (CHEBI:207344) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,7-diacetyloxy-15-hydroxy-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
78438941ChemSpider