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CHEBI:207331 - (22S,24E)-15alpha,22-diacetoxy-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207331
ChEBI Name(22S,24E)-15alpha,22-diacetoxy-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O8
Net Charge0
Average Mass600.793
Monoisotopic Mass600.36622
SMILESCO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C35H52O8/c1-19(31(39)40)11-12-25(42-21(3)36)20(2)24-17-29(43-22(4)37)35(9)30-23(13-16-34(24,35)8)33(7)15-14-28(38)32(5,6)27(33)18-26(30)41-10/h11,20,24-27,29H,12-18H2,1-10H3,(H,39,40)/b19-11+/t20-,24+,25-,26+,27-,29-,33+,34+,35-/m0/s1
InChIKeyQTHJBQZEVGXHJY-GIDRQHGRSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-15alpha,22-diacetoxy-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid (CHEBI:207331) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,15S,17R)-15-acetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438939ChemSpider