basic_info |
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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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