小分子和化合物库

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  1. 菲律宾菌素复合体
    CAS号: 11078-21-0        EC号: 631-260-9, 637-175-3
    分子式: C35H58O11 (for Filipin III)        分子量: 654.80
    IUPAC Name: (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
    SMILES: CCCCCC(C1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O
    InChIKey: IMQSIXYSKPIGPD-YQRUMEKGSA-N
    InChI: 1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10See more
  2. 2'-OMe-G(dmf) 亚磷酰胺单体
    CAS号: 128219-77-2
    分子式: C44H55N8O8P        分子量: 854.93
    IUPAC Name: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=NC3=C2N=C(NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
    InChIKey: ZGDBCILCTOHNAB-NANSYJOBSA-N
    InChI: 1S/C44H55N8O8P/c1-29(2)52(30(3)4)61(58-25-13-24-45)60-38-36(59-42(39(38)56-9)51-28-46-37-40(51)48-43(49-41(37)53)47-27-50(5)6)26-57-44(31-14-11-10-12-15-31,32-16-20-34(54-7)21-17-32)33-18-22-35(55-8)2See more
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