CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-[(METHYLSULFONYL)OXY]-, (3ALPHA,5BETA,7ALPHA,12ALPHA)-

pro_cas
135053-65-5
pro_cdbregno
CCD06667484
pro_formula
C25 H42 O7 S
pro_molWeight
486.666

basic_info

Product_Name: CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-[(METHYLSULFONYL)OXY]-, (3ALPHA,5BETA,7ALPHA,12ALPHA)-
CAS: 135053-65-5
EnglishSynonyms: CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-[(METHYLSULFONYL)OXY]-, (3ALPHA,5BETA,7ALPHA,12ALPHA)-
pro_mdlNumber: MFCD21608619
pro_acceptors: 7
pro_donors: 3
pro_smile: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)O)O)C
InChi: InChI=1S/C25H42O7S/c1-14(5-8-22(28)29)17-6-7-18-23-19(13-21(27)25(17,18)3)24(2)10-9-16(32-33(4,30)31)11-15(24)12-20(23)26/h14-21,23,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChiKey: InChIKey=QDNUHJGGXXPBNT-SRNOMOOLSA-N

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