小分子和化合物库

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  1. 雌酮-2,3,4-¹³C₃
      规格或纯度 :
    • ≥99 atom% 13C,≥98%
    CAS号: 1241684-29-6
    分子式: C1513C3H22O2        分子量: 273.34
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-N
    InChI: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
  2. 海胺® 1622
    CAS号: 121-54-0        EC号: 204-479-9
    分子式: C27H42ClNO2        分子量: 448.08
    IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
    SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
    InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M
    InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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