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柠檬酸-¹³C₆CAS号: 287389-42-8分子式: HO13C(13CO2H)(13CH213CO2H)2 分子量: 198.08IUPAC Name: 2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acidSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: KRKNYBCHXYNGOX-IDEBNGHGSA-NInChI: 1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
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石胆酸-2,2,4,4-d₄CAS号: 83701-16-0分子式: C24H36D4O3 分子量: 380.60IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=OInChIKey: SMEROWZSTRWXGI-POXZWENPSA-NInChI: 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2
