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CHEBI:95110 - acetic acid [2-[(3R,5R,10S,13S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester

ChEBI IDCHEBI:95110
ChEBI Nameacetic acid [2-[(3R,5R,10S,13S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC25H36O7
Net Charge0
Average Mass448.556
Monoisotopic Mass448.24610
SMILESCC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3C(=O)C[C@@]21C
InChIInChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18?,19?,22?,23+,24+,25+/m1/s1
InChIKeyPXQRJZNDFRAFTF-SJAFLYPYSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [2-[(3R,5R,10S,13S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester (CHEBI:95110) is a steroid ester (CHEBI:47880)
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