小分子和化合物库

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  1. 原卟啉IX二钠盐
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 50865-01-5        Compound CID : 71484
    分子式: C34H32N4Na2O4        分子量: 606.63
    IUPAC Name: disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
    SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]
    InChIKey: GPRXGEKBQVXWAQ-UHFFFAOYSA-L
    InChI: 1S/C34H34N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,See more
  2. 尿鸟苷
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 154525-25-4        Compound CID : 71308576
    分子式: C64H102N18O26S4        分子量: 1667.86
    IUPAC Name: (2S)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]propanoyl]amino]-22-(2-carboSee more
    SMILES: CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC(C)C)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=See more
    InChIKey: VQZRYOAXGUCZMI-HWMZBCIHSA-N
    InChI: 1S/C64H102N18O26S4/c1-24(2)13-32-53(96)79-40-23-112-109-20-37(57(100)76-36(64(107)108)14-25(3)4)70-43(86)19-68-61(104)49(29(10)83)82-60(103)39(77-50(93)28(9)69-62(105)47(26(5)6)80-56(99)33(16-42(67)85See more
  3. 尼柯霉素Z
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号: 59456-70-1
    分子式: C20H25N5O10        分子量: 495.44
    IUPAC Name: (2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
    SMILES: CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
    InChIKey: WWJFFVUVFNBJTN-VHDFTHOZSA-N
    InChI: 1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,See more
  4. 柠檬苦素
      规格或纯度 :
    • ≥90%(HPLC)
    • 来自柑橘种子
    CAS号: 1180-71-8
    分子式: C26H30O8        分子量: 470.51
    IUPAC Name: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
    SMILES: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
    InChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-N
    InChI: 1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,See more
  5. 雌三醇-2,3,4-¹³C₃
      规格或纯度 :
    • ≥99 atom% 13C,≥97%
    CAS号: 1255639-56-5
    分子式: C18H24O3        分子量: 291.36
    IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
    SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
    InChIKey: PROQIPRRNZUXQM-FDFADMNFSA-N
    InChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
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