Magnesium bis[3,7,12-trioxo-5beta-cholan-24-oate]

CAS
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CAS
7786-84-7
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Purity
96%
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Catalog Number

ACM7786847

Product Name

Magnesium bis[3,7,12-trioxo-5beta-cholan-24-oate]

Structure

CAS

7786-84-7

Category

Heterocyclic Organic Compound

Synonyms

dehydrocholic acid, 81-23-2 (Parent), EINECS 232-105-4, CID111335, Magnesium bis(3,7,12-trioxo-5beta-cholan-24-oate), 7786-84-7

IUPAC Name

magnesium (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Molecular Weight

827.336640 [g/mol]

Molecular Formula

C48H66MgO10

Canonical SMILES

CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Mg+2]

InChI Key

JKWGGYRLJAHBMT-IOTIMKOBSA-L

Boiling Point

581.5ºC at 760 mmHg

Flash Point

319.5ºC

EC Number

232-105-4

Exact Mass

826.45100

H-Bond Acceptor

H-Bond Donor

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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