54479-70-8
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT
Name
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT
Formula
C48 H78 Mg O8
MolWeight
807.441
1Identification
【Name】
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT
【CAS】
【MDL】
MFCD00273337
【English Synonyms】
【Formula】
C48 H78 Mg O8
【MolWeight】
807.441
【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
【SMILES】
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
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL MAGNESIUM SALT.cml
Quick Release
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Catalog No:R542 nullnull
Country/Region:United States
Business Type:Others
http://www.aksci.com
Research Plus, Inc.
Catalog No:955-3 1G
Catalog No:955-3 5G
Country/Region:United States
Business Type:Others
http://www.researchplus.com
More 54479-70-8 Suppliers>>