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CHEBI:94681 - acetic acid [(2S,3S,5R,8S,9R,10R,13R,14R,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester

ChEBI IDCHEBI:94681
ChEBI Nameacetic acid [(2S,3S,5R,8S,9R,10R,13R,14R,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
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Last Modified3 March 2016
DownloadsMolfile
FormulaC34H57N2O4
Net Charge+1
Average Mass557.840
Monoisotopic Mass557.43128
SMILESCC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@]2(C)C[C@@H]1N1CCCCC1
InChIInChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29+,30+,31+,32+,33-,34-/m1/s1
InChIKeyBGSZAXLLHYERSY-NGQATJDKSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [(2S,3S,5R,8S,9R,10R,13R,14R,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester (CHEBI:94681) is a steroid ester (CHEBI:47880)
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