首页
400-620-6333
小分子和化合物库
选项
-
丹酚酸 BCAS号: 121521-90-2 Compound CID : 6451084分子式: C36H30O16 分子量: 718.61IUPAC Name: (2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)OInChIKey: SNKFFCBZYFGCQN-VWUOOIFGSA-NInChI: See more
-
-
-
L-乳酸钠-(¹³C)3 溶液CAS号: 201595-71-3分子式: 13CH313CH(OH)13CO2Na 分子量: 115.04IUPAC Name: sodium;(2S)-2-hydroxy(1,2,3-13C3)propanoateSMILES: CC(C(=O)[O-])O.[Na+]InChIKey: NGSFWBMYFKHRBD-USULVYIHSA-MInChI: 1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i1+1,2+1,3+1;
-
鹅去氧胆酸-¹³C24CAS号: 52918-92-0分子式: C23(13C)H40O4 分子量: 393.56IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](113C)pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-NIOAGLPLSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i21+1
-
17α-羟基孕酮-2,3,4-¹³C₃CAS号: 1356154-92-1分子量: 333.44SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=[13CH][13C](=O)[13CH2]C[C@]4(C)[C@H]3CC[C@]12CInChIKey: DBPWSSGDRRHUNT-GGSYSODVSA-NInChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
-
丙酰-L-肉碱CAS号: 20064-19-1 Compound CID : 188824分子式: C10H19NO4 分子量: 217.26IUPAC Name: (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoateSMILES: CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: UFAHZIUFPNSHSL-MRVPVSSYSA-NInChI: InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
-
异戊酰-L-肉碱CAS号: 31023-24-2分子式: C12H23NO4 分子量: 245.32IUPAC Name: 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoateSMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: IGQBPDJNUXPEMT-UHFFFAOYSA-NInChI: 1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
-
月桂酰-L-肉碱CAS号: 25518-54-1分子式: C19H37NO4 分子量: 343.5IUPAC Name: (3R)-3-dodecanoyloxy-4-(trimethylazaniumyl)butanoateSMILES: CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: FUJLYHJROOYKRA-QGZVFWFLSA-NInChI: 1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1
-
棕榈酸-¹³C₁₆CAS号: 56599-85-0分子式: (13C)16H32O2 分子量: 272.31IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-BZDICNBSSA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
