CAS
778-66-5 Purity
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778-66-5 Purity
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Magnesium bis[3,7,12-trioxo-5beta-cholan-24-oate]
CAS
7786-84-7
Catalog Number
ACM7786847
Category
Other Products
Molecular Weight
827.336640 [g/mol]
Molecular Formula
C48H66MgO10
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Specification
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
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
10
H-Bond Donor
0
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