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N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
[CAS# 71977-73-6]

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Identification
Name N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
Synonyms N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine
Molecular Structure CAS#: 71977-73-6, N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
Molecular Formula C26H43NO9S
Molecular Weight 545.69
CAS Registry Number 71977-73-6
SMILES OC(=O)CNC(=O)CC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4[C@H](OS(O)(=O)=O)C[C@@H]1C[C@H](O)CC[C@]1(C)[C@H]4C[C@H](O)[C@@]23C
InChI 1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)36-37(33,34)35/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKey BJPPZTDOLXZUSK-FRVQLJSFSA-N
Properties
Density 1.361g/cm3 (Cal.)
Market Analysis Reports
List of Reports Available for N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine
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