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CHEBI:62040 - etiocholanolone hemisuccinate

ChEBI IDCHEBI:62040
ChEBI Nameetiocholanolone hemisuccinate
Stars
DefinitionA sterol ester that is the O-succinoyl derivative of etiocholanolone.
Last Modified9 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@H](OC(=O)CCC(=O)O)C2
InChIInChI=1S/C23H34O5/c1-22-11-9-15(28-21(27)8-7-20(25)26)13-14(22)3-4-16-17-5-6-19(24)23(17,2)12-10-18(16)22/h14-18H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,17+,18+,22+,23+/m1/s1
InChIKeyZXXJWQGLXHCSFH-YZGNVQHTSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
etiocholanolone hemisuccinate (CHEBI:62040) is a 17-oxo steroid (CHEBI:19168)
etiocholanolone hemisuccinate (CHEBI:62040) is a dicarboxylic acid monoester (CHEBI:36244)
etiocholanolone hemisuccinate (CHEBI:62040) is a hemisuccinate (CHEBI:138979)
etiocholanolone hemisuccinate (CHEBI:62040) is a sterol ester (CHEBI:35915)
IUPAC Name 
4-oxo-4-{[(3β,5β)-17-oxoandrostan-3-yl]oxy}butanoic acid
Synonyms  Source
etiocholanolone succinateChEBI
4-[(epiandrosteron-3β-yl)oxy]-4-oxobutanoic acidChEBI
3α-etiocholanolone hemisuccinateChEBI
5β-androsterone hemisuccinateChEBI
5β-androsterone succinateChEBI
3α-etiocholanolone succinateChEBI
Registry NumbersSources
Reaxys:7365236Reaxys
Citations