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CHEBI:218435 - 3beta-(2-methoxyoxalyloxy)-24-methylene-5alpha-lanost-8-en-21-oic acid

Default Structure
ChEBI IDCHEBI:218435
ChEBI Name3beta-(2-methoxyoxalyloxy)-24-methylene-5alpha-lanost-8-en-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O6
Net Charge0
Average Mass556.784
Monoisotopic Mass556.37639
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C34H52O6/c1-20(2)21(3)10-11-22(28(35)36)23-14-18-34(8)25-12-13-26-31(4,5)27(40-30(38)29(37)39-9)16-17-32(26,6)24(25)15-19-33(23,34)7/h20,22-23,26-27H,3,10-19H2,1-2,4-9H3,(H,35,36)/t22-,23-,26+,27+,32-,33-,34+/m1/s1
InChIKeyDCNGBZYCLMOTSX-HZLNEUEDSA-N
Species of MetaboliteComponentSourceComments
Perenniporia maackiae (ncbitaxon:933052) - PubMed (23418775)
ChEBI Ontology
Outgoing Relation(s)
3beta-(2-methoxyoxalyloxy)-24-methylene-5alpha-lanost-8-en-21-oic acid (CHEBI:218435) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-(2-methoxy-2-oxoacetyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
58825956ChemSpider