5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT

CAS No.
54479-70-8
CCD No.
CCD00118116
Formula
C48 H78 Mg O8
MolWeight
807.441

Basic Information

Product Name: 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT
CAS: 54479-70-8
English Synonyms: MAGNESIUM HEPARINATE ; MAGNESIUM DEOXYCHOLATE ; 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT ; HEPARIN MAGNESIUM
MDL Number.: MFCD00273337
H bond acceptor: 8
H bond donor: 4
Smile: C[C@H](CCC(=O)O[Mg]OC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)[C@H]5CC[C@@H]6[C@@]5([C@H](C[C@H]7[C@H]6CC[C@H]8[C@@]7(CC[C@H](C8)O)C)O)C
InChi: InChI=1S/2C24H40O4.Mg/c2*1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h2*14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+2/p-2/t2*14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m11./s1
InChiKey: InChIKey=KVPZPSPOBQUDPV-WWXYFFPRSA-L

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