CAS 99794-78-2

(2S,3S,4S,5R,6R)-6-{[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-{(2R)-5-[(carboxymethyl)amino]-5-oxopentan-2-yl}-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-prefe

Formula: C₃₂H₅₁NO₁₂

InChI: InChI=1/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1

InChI key: InChIKey=BWWWIHHYPYDOJQ-UHFFFAOYSA-N

SMILES: OC1C2C3C(C)(C(C(CCC(NCC(O)=O)=O)C)CC3)C(O)CC2C4(C)C(C1)CC(OC5OC(C(O)=O)C(O)C(O)C5O)CC4

Sinonimi:

• (3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid
• 99794-78-2
• Glycocholic acid 3-glucuronide
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, (3α,5β,7α,12α)-24-[(carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl
• β-D-Glucopyranosiduronic acid, (3α,5β,7α,12α)-24-[(carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl
• (3α,5β,7α,12α)-24-[(Carboxymethyl)amino]-7,12-dihydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acid