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CHEBI:41462 - CARBENOXOLONE

Default Structure
ChEBI IDCHEBI:41462
ChEBI NameCARBENOXOLONE
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC34H50O7
Net Charge0
Average Mass570.767
Monoisotopic Mass570.35565
SMILESCC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
InChIKeyOBZHEBDUNPOCJG-WBXJDKIVSA-N
ChEBI Ontology
Outgoing Relation(s)
CARBENOXOLONE (CHEBI:41462) is a triterpenoid (CHEBI:36615)
Synonyms  Source
(3beta,5beta,10alpha,14beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acidPDBeChem
biogastroneDrugCentral
CARBENOXOLONEPDBeChem
carbenoxolone disodiumDrugCentral
carbenoxolone disodium saltDrugCentral
carbenoxolone sodiumDrugCentral
Manual XrefsDatabases
493DrugCentral
CBOPDBeChem
LSM-2267LINCS
Registry NumbersSources
CAS:5697-56-3DrugCentral