5BETA-CHOLANIC ACID-3ALPHA-OL ACETATE METHYL ESTER

pro_cas
pro_cdbregno
CCD00093377
pro_formula
C27 H44 O4
pro_molWeight
432.641

basic_info

Product_Name: 5BETA-CHOLANIC ACID-3ALPHA-OL ACETATE METHYL ESTER
EnglishSynonyms: 5BETA-CHOLANIC ACID-3ALPHA-OL ACETATE METHYL ESTER ; METHYLACETOXYLITHOCHOLATE ; METHYL-3ALPHA-ACETOXYCHOLANATE ; LITHOCHOLIC ACID ACETATE METHYL ESTER ; METHYL 3-ALPHA-ACETOXY-5-BETA-CHOLAN-24-OATE
pro_mdlNumber: MFCD00200610
pro_acceptors: 4
pro_donors: 0
pro_smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChi: InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17-,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1
InChiKey: InChIKey=DVIUCIPCTDVQAP-VCRDOGAPSA-N

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