小分子和化合物库

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9 项目

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  1. MC 1046
      规格或纯度 :
    • ≥91%
    CAS号: 126860-83-1        Compound CID : 9547342
    分子式: C27H38O3        分子量: 410.59
    IUPAC 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-one
    SMILES: CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
    InChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-N
    InChI: 1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23See more
  2. 牛磺石胆酸-d5钠盐(主要)
      规格或纯度 :
    • ≥95%,≥95 atom% D
    • Deuterated from d0-d6
    CAS号: 1265476-97-8        Compound CID : 46782976
    分子式: C26H39D5NNaO5S        分子量: 510.72
    IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
    SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
    InChIKey: YAERYJYXPRIDTO-SDXLJUFPSA-M
    InChI: 1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21?,22See more
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