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Flavan-3-ols

Description:

Flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Flavonoids ⮕ Flavans ⮕ Flavan-3-ols
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Items 37-45 of 45

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  1. (-)-Gallocatechin gallate (GCG)
    Cas Number: 4233-96-9
    Formula:  C22H18O11        Molecular Weight: 458.37
    IUPAC Name:  [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES:  C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: WMBWREPUVVBILR-NQIIRXRSSA-N
    InChI:  InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+show more
    Synonyms: (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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  2. (-)-Epigallocatechin gallate
    Cas Number: 989-51-5
    Formula:  C22H18O11        Molecular Weight: 458.37
    IUPAC Name:  [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES:  C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N
    InChI:  InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-show more
    Synonyms: EGCG | EPIGALLOCATECHIN GALLATE [INCI] | Epigallocic acid | NCGC00164319-04 | EGCG | NCGC00164319-01 | UNII-BQM438CTE...
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  3. (-)-Catechin Gallate
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 130405-40-2
    Formula:  C22H18O10        Molecular Weight: 442.37
    IUPAC Name:  [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES:  C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: LSHVYAFMTMFKBA-CTNGQTDRSA-N
    InChI:  InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/mshow more
    Synonyms: (?)-Catechin gallate | (-)-Catechin gallate | C22H18O10 | S00277 | (-)-Catechin gallate(CG) | (2S,3R)-2-(3,4-Dihydrox...
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  4. (-)-Epicatechin gallate
    Cas Number: 1257-08-5        EC Number: 603-088-4
    Formula:  C22H18O10        Molecular Weight: 442.37
    IUPAC Name:  [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES:  C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-N
    InChI:  InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/mshow more
    Synonyms: AKOS015965216 | DTXSID70925231 | trans-4-[N-ethyl-N-(2-hydroxyethyl)amino]-4'-nitroazobenzene | KBio2_003362 | S)-1-A...
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  5. (+)-Catechin Hydrate
      Grade & Purity: 
    • ≥95%(HPLC)
    Cas Number: 225937-10-0        EC Number: 205-825-1
    Formula:  C15H14O6·xH2O        Molecular Weight: 290.27
    IUPAC Name:  (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
    SMILES:  C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O
    InChIKey: OFUMQWOJBVNKLR-NQQJLSKUSA-N
    InChI:  InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
    Synonyms: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R,3S)- | (+/-)-Catechin hydrate, pr...
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  6. 4′-O-Methylcatechin
    Cas Number: 69912-75-0
    Formula:  C16H16O6        Molecular Weight: 304.29
    IUPAC Name:  (2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    SMILES:  COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
    InChIKey: ZHDMPVIDHWJGTN-XJKSGUPXSA-N
    InChI:  InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
    Synonyms: CHEBI:174914 | 4'-O-Methylcatechin | LMPK12020113 | (2R,3S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5...
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  7. EGCG Octaacetate
      Grade & Purity: 
    • ≥98%
    Cas Number: 148707-39-5
    Formula:  C38H34O19        Molecular Weight: 794.67
    IUPAC Name:  [(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
    SMILES:  CC(=O)OC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
    InChIKey: SVHJCTSSYQPWEV-VSJLXWSYSA-N
    InChI:  InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(5show more
    Synonyms: Epigallocatechin gallate octaacetate | 5-(((2R,3R)-5,7-Diacetoxy-2-(3,4,5-triacetoxyphenyl)chroman-3-yloxy)carbonyl)b...
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  8. Dihydromyricetin
    Cas Number: 27200-12-0
    Formula:  C15H12O8        Molecular Weight: 320.25
    IUPAC Name:  (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES:  C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
    InChIKey: KJXSIXMJHKAJOD-LSDHHAIUSA-N
    InChI:  InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
    Synonyms: (2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | HY-N0112 | Dihydromyricetin (...
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  9. Dihydromyricetin
    Cas Number: 27200-12-0
    Formula:  C15H12O8        Molecular Weight: 320.25
    IUPAC Name:  (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES:  C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
    InChIKey: KJXSIXMJHKAJOD-LSDHHAIUSA-N
    InChI:  InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
    Synonyms: (2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | HY-N0112 | Dihydromyricetin (...
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