$190.00
| CAS No.: | 36451-14-6 |
| Molecular Formula | C₂₉H₂₄O₁₂ |
| Molecular Weight | 564.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Polyphenols |
| Weight |
|---|
IUPAC Name: 3,4,6-trihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one
InChI: InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22+,28-,29-/m1/s1
InChIKey: IPMYMEWFZKHGAX-WCQFOESSSA-N
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O
Isomeric SMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O
Synonyms: Neotheaflavin; 36451-14-6; 3,4,5-Trihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one; 3,4,6-Trihydroxy-8-((2R,3R)-3,5,7-trihydroxychroman-2-yl)-1-((2R,3S)-3,5,7-trihydroxychroman-2-yl)-5H-benzo[7]annulen-5-one; SCHEMBL14847403; IPMYMEWFZKHGAX-WCQFOESSSA-N; HY-N7668; AKOS040758090; …
Botanical Source: Black Tea
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