Basic Information |
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Product Name: | 1-B,3-B,11-A,19-TETRA-ACO-5,14-DI-HO-5-B,14-B-ANDROSTANE-17-BETA-CARBOXYLIC ACID |
English Synonyms: | 1-B,3-B,11-A,19-TETRA-ACO-5,14-DI-HO-5-B,14-B-ANDROSTANE-17-BETA-CARBOXYLIC ACID |
MDL Number.: | MFCD00670944 |
H bond acceptor: | 12 |
H bond donor: | 3 |
Smile: | CC(=O)OCC12[C@H](CC(CC1(CCC3C2[C@@H](CC4(C3(CCC4C(=O)O)O)C)OC(=O)C)O)OC(=O)C)OC(=O)C |
InChi: | InChI=1S/C28H40O12/c1-14(29)37-13-27-22(40-17(4)32)10-18(38-15(2)30)11-26(27,35)8-6-19-23(27)21(39-16(3)31)12-25(5)20(24(33)34)7-9-28(19,25)36/h18-23,35-36H,6-13H2,1-5H3,(H,33,34)/t18?,19?,20?,21-,22+,23?,25?,26?,27?,28?/m1/s1 |
InChiKey: | InChIKey=HIWAUMHEHZRTHX-CRWNSCTBSA-N |
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