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N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
[CAS# 88446-86-0]

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Identification
Name N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
Synonyms Glycine, N-((3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-; Glycine, N-((3-α,5-β,7-α)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-
Molecular Structure CAS#: 88446-86-0, N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
Molecular Formula C27H45NO5
Molecular Weight 463.65
CAS Registry Number 88446-86-0
SMILES O=C(O)CN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)CCC4C2[C@H](O)C[C@@H]3C[C@H](O)CC[C@@]34C)C)C
InChI 1S/C27H45NO5/c1-16(5-8-23(31)28(4)15-24(32)33)19-6-7-20-25-21(10-12-27(19,20)3)26(2)11-9-18(29)13-17(26)14-22(25)30/h16-22,25,29-30H,5-15H2,1-4H3,(H,32,33)/t16-,17+,18-,19-,20?,21?,22-,25?,26+,27-/m1/s1
InChIKey YZYBIGOLMMAZFK-XXGXDZQLSA-N
Properties
Density 1.154g/cm3 (Cal.)
Boiling point 626.519°C at 760 mmHg (Cal.)
Flash point 332.707°C (Cal.)
Market Analysis Reports
List of Reports Available for N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
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