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Coumarins and derivatives

Description:

Polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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  1. Aflatoxin Quality Control Sample,From corn
    Cas Number: 1162-65-8
    Formula:  C17H12O6        Molecular Weight: 312.27
    IUPAC Name:  (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
    SMILES:  COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1
    InChIKey: OQIQSTLJSLGHID-WNWIJWBNSA-N
    InChI:  InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1
  2. Micromelin
      Grade & Purity: 
    • ≥98%
    Cas Number: 15085-71-9        Compound CID:  73230
    IUPAC Name:  7-methoxy-6-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one
    SMILES:  CC12C(O1)C(OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC
    InChIKey: VIORQNDMAWQQCV-YDHLFZDLSA-N
    InChI:  InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1
  3. 7-Methoxy-8-hydroxy-4-MethylcouMarin
      Grade & Purity: 
    • ≥98%
    Cas Number: 22084-94-2        Compound CID:  596086
    IUPAC Name:  8-hydroxy-7-methoxy-4-methylchromen-2-one
    SMILES:  CC1=CC(=O)OC2=C1C=CC(=C2O)OC
    InChIKey: HHSJFOILNWMNFO-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H10O4/c1-6-5-9(12)15-11-7(6)3-4-8(14-2)10(11)13/h3-5,13H,1-2H3
  4. 4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
      Grade & Purity: 
    • ≥95%
    Cas Number: 136918-66-6        Compound CID:  2828082
    Formula:  C14H14ClNO3        Molecular Weight: 279.72
    IUPAC Name:  4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehyde
    SMILES:  CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=O)Cl
    InChIKey: CYXXVTLWYIGJJW-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H14ClNO3/c1-3-16(4-2)9-5-6-10-12(7-9)19-14(18)11(8-17)13(10)15/h5-8H,3-4H2,1-2H3
  5. N-Succinimidyl 7-(Diethylamino)coumarin-3-carboxylate
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 139346-57-9        Compound CID:  2760552
    Formula:  C18H18N2O6        Molecular Weight: 358.35
    IUPAC Name:  (2,5-dioxopyrrolidin-1-yl) 7-(diethylamino)-2-oxochromene-3-carboxylate
    SMILES:  CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
    InChIKey: NUNPVRICKDZFLK-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3
  6. 7-AMCA NHS Ester
    Cas Number: 113721-87-2
    Formula:  C16H14N2O6        Molecular Weight: 330.29
    IUPAC Name:  (2,5-dioxopyrrolidin-1-yl) 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
    SMILES:  CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)ON3C(=O)CCC3=O
    InChIKey: ILKQVTIMOGNSAS-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
    Synonyms: 7-(Dimethylamino)coumarin-4-acetic acid-NHS | 7-Amino-4-methyl-3coumarinylacetyl | N-Succinimidyl 7-amino-4-methyl-3-...
  7. 5-Hydroxy-8-methoxypsoralen
      Grade & Purity: 
    • ≥98%
    Cas Number: 7471-73-0        Compound CID:  5385192
    IUPAC Name:  4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
    SMILES:  COC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2
    InChIKey: XPFCGZWOHNGDSP-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
  8. 4-Methylumbelliferyl β-D-N,N'-diacetylchitobioside
      Grade & Purity: 
    • ≥98%
    Cas Number: 53643-12-2
    Formula:  C26H34N2O13 · xH2O        Molecular Weight: 582.55 (anhydrous basis)
    IUPAC Name:  N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxshow more
    SMILES:  O=C(C)N[C@H]1[C@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O[C@H](CO)[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]1O
    InChIKey: UPSFMJHZUCSEHU-JYGUBCOQSA-N
    InChI:  InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4show more
    Synonyms: 4-Methylumbelliferyl β-D-N,N′diacetylchitobioside hydrate | 7-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-gluc...
  9. 4-Methylumbelliferyl heptanoate
      Grade & Purity: 
    • ≥95%(GC)
    Cas Number: 18319-92-1        EC Number: 242-207-0        Compound CID:  87583
    Formula:  C17H20O4        Molecular Weight: 288.34
    IUPAC Name:  (4-methyl-2-oxochromen-7-yl) heptanoate
    SMILES:  CCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
    InChIKey: FFNBFZWIBOIPIV-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3
  10. 3-Amino-7-hydroxy-2H-chromen-2-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 79418-41-0        Compound CID:  57345854
    Formula:  C9H7NO3        Molecular Weight: 177.157
    IUPAC Name:  3-amino-7-hydroxychromen-2-one
    SMILES:  C1=CC2=C(C=C1O)OC(=O)C(=C2)N
    InChIKey: RQFHTIQNYJDJAH-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H7NO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H,10H2
  11. (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 905442-42-4        Compound CID:  57523941
    Formula:  C13H13NO5        Molecular Weight: 263.25
    IUPAC Name:  (2S)-2-amino-4-(7-hydroxy-2-oxochromen-4-yl)butanoic acid
    SMILES:  C1=CC2=C(C=C1O)OC(=O)C=C2CCC(C(=O)O)N
    InChIKey: QEQAKQQRJFWPOR-JTQLQIEISA-N
    InChI:  InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
  12. (-)-Praeruptorin B
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 4970-26-7        Compound CID:  10251869
    IUPAC Name:  [(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
    SMILES:  CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C
    InChIKey: PNTWXEIQXBRCPS-IOWUNYDSSA-N
    InChI:  InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,2show more
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