Glycodehydrocholic acid
Catalog Number | BL-M000499 |
CAS Number | 3415-45-0 |
Description | Glycodehydrocholic acid is a glycine-conjugated form of the synthetic bile acid dehydrocholic acid. |
IUPAC Name | 2-[[(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]pentanoyl]amino]acetic acid |
Synonyms | Dehydrocholylglycine; GDHCA; N-[(5β)-3,7,12,24-tetraoxocholan-24-yl]-glycine |
Molecular Weight | 459.58 |
Molecular Formula | C26H37NO6 |
Boiling Point | 692.1±55.0 °C at 760 mmHg |
Melting Point | 248°C |
Purity | >99% |
Density | 1.202±0.06 g/cm3 |
Appearance | Powder |
Shelf Life | 1 Year |
Storage | Store at -20°C |
Percent Composition | C 67.95%, H 8.12%, N 3.05%, O 20.89% |
Canonical SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C |
InChI | InChI=1S/C26H37NO6/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/h14-15,17-19,24H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,17-,18+,19+,24+,25+,26-/m1/s1 |
InChI Key | ZDPYMJNWJWJTAF-HHELISEZSA-N |
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