小分子和化合物库
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MC 1046CAS号: 126860-83-1 Compound CID : 9547342分子式: C27H38O3 分子量: 410.59IUPAC Name: (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-oneSMILES: CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)CInChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-NInChI: See more
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外消旋美托洛尔-d7CAS号: 959787-96-3 EC号: 874-692-5分子式: C15H18D7NO3 分子量: 274.41IUPAC Name: 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-olSMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)OInChIKey: IUBSYMUCCVWXPE-QLWPOVNFSA-NInChI: 1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i1D3,2D3,12D
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
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胆固醇-d7CAS号: 83199-47-7分子式: C27H39D7O 分子量: 393.70IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: HVYWMOMLDIMFJA-IFAPJKRJSA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
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