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CHEBI:217756 - Seco-4,23-hydroxyoleane-12-en-22-one-3-carboxylic acid

ChEBI IDCHEBI:217756
ChEBI NameSeco-4,23-hydroxyoleane-12-en-22-one-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILESCC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@](C)(CCC(=O)O)C(C(C)(O)CO)CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C30H48O5/c1-25(2)16-20-19-8-9-21-27(4,12-11-24(33)34)22(30(7,35)18-31)10-13-29(21,6)28(19,5)15-14-26(20,3)23(32)17-25/h8,20-22,31,35H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,26+,27+,28+,29+,30?/m0/s1
InChIKeyVYVQCQBUBKNGGO-NNKHYHIKSA-N
ChEBI Ontology
Outgoing Relation(s)
Seco-4,23-hydroxyoleane-12-en-22-one-3-carboxylic acid (CHEBI:217756) is a 17-hydroxy steroid (CHEBI:36838)
IUPAC Name 
3-[(1R,4aR,4bS,6aR,10aS)-2-(1,2-dihydroxypropan-2-yl)-1,4a,4b,6a,9,9-hexamethyl-7-oxo-2,3,4,5,6,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid
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