ACO-DI-ME-OXO-HEXADECAHYDRO-CYCLOPENTA(A)PHENANTHREN-YL-PENTANOIC ACID ME ESTER

pro_cas
pro_cdbregno
CCD08029608
pro_formula
C27 H42 O5
pro_molWeight
446.624

basic_info

Product_Name: ACO-DI-ME-OXO-HEXADECAHYDRO-CYCLOPENTA(A)PHENANTHREN-YL-PENTANOIC ACID ME ESTER
EnglishSynonyms: ACO-DI-ME-OXO-HEXADECAHYDRO-CYCLOPENTA(A)PHENANTHREN-YL-PENTANOIC ACID ME ESTER ; METHYL 12-ALPHA-ACETOXY-3-OXO-5-BETA-CHOLAN-24-OATE
pro_mdlNumber: MFCD00200673
pro_acceptors: 5
pro_donors: 0
pro_smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)OC(=O)C)C
InChi: InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(29)12-13-26(18,3)23(20)15-24(27(21,22)4)32-17(2)28/h16,18,20-24H,6-15H2,1-5H3/t16-,18-,20+,21-,22+,23+,24+,26+,27-/m1/s1
InChiKey: InChIKey=KNHGHMDIHVHLKX-DVZLRXIUSA-N

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