Magnesium bis[(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate]

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Catalog Number
ACM71888658
Product Name
Magnesium bis[(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate]
Structure
Structure
CAS
71888-65-8
Category
Heterocyclic Organic Compound
IUPAC Name
magnesium (4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular Weight
807.433120 [g/mol]
Molecular Formula
C48H78MgO8
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Mg+2]
InChI Key
KVPZPSPOBQUDPV-QKECBBNCSA-L
Melting Point
176-178ºC
EC Number
276-152-9
Exact Mass
806.55500
H-Bond Acceptor
8
H-Bond Donor
4
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