acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester (CHEBI:111164)

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CHEBI:111164 - acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester

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ChEBI ID	CHEBI:111164
ChEBI Name	acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
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Downloads	Molfile

Formula	C23H32O4
Net Charge	0
Average Mass	372.505
Monoisotopic Mass	372.23006
SMILES	CC(=O)O[C@H]1CC[C@]2(C)C3CC(=O)[C@]4(C)C(C(C)=O)=CCC4C3CC[C@H]2C1
InChI	InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)20(17)12-21(26)23(18,19)4/h7,15-17,19-20H,5-6,8-12H2,1-4H3/t15-,16-,17?,19?,20?,22-,23+/m0/s1
InChIKey	MPXJSJVWSXWSNI-JHMAQGQSSA-N

ChEBI Ontology

Outgoing Relation(s)
	acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester (CHEBI:111164) is a steroid ester (CHEBI:47880)

Manual Xrefs	Databases
LSM-22608	LINCS