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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3beta-(2-methoxyoxalyloxy)-24-methylene-5alpha-lanost-8-en-21-oic acid
ChEBI ID CHEBI:218435
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H52O6
Net Charge 0
Average Mass 556.784
Monoisotopic Mass 556.37639
InChI InChI=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
InChIKey DCNGBZYCLMOTSX-HZLNEUEDSA-N
SMILES O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C)C(=O)OC
Metabolite of Species Details
Perenniporia maackiae (NCBI:txid933052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58825956 ChemSpider
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