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Glycocholic acid-[glycyl-1-13C]

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General Information
Catalog: BLP-008967
CAS: 64431-95-4
Molecular Formula: C25[13C]H43NO6
Molecular Weight: 466.62

Chemical Structure

Description	Glycocholic acid-[glycyl-1-13C] is a labelled Glycocholic acid. Glycocholic acid is a conjugate of cholic acid with glycine that occurs in the bile of mammals.
Synonyms	Glycocholic acid-(glycyl-1-13C); Glycine-1-13C, N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Related CAS	475-31-0 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/i23+1
InChI Key	RFDAIACWWDREDC-JSLOLQEMSA-N
Melting Point	165-168°C(lit.)
Purity	98% by CP; 99% atom 13C