1-B,3-B,11-A,19-TETRA-ACO-5,14-DI-HO-5-B,14-B-ANDROSTANE-17-BETA-CARBOXYLIC ACID

CAS No.
CCD No.
CCD08050364
Formula
C28 H40 O12
MolWeight
568.612

Basic Information

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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