Chem
J-GLOBAL ID：201807008826171414   Nikkaji number：J3.725.946B

Catechinopyranocyanidin A

カテキノピラノシアニジンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H20O11
Molecular formula furigana： C30-H20-O11
Molecular weight： 556.479
InChI： InChI=1S/C30H20O11/c31-13-7-21-24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)28(38)26(24)25-23(39-21)10-20-14(27(25)37)9-19(36)29(40-20)11-1-3-15(32)17(34)5-11/h1-8,10,19,29,31-36,38H,9H2/t19-,29+/m0/s1
InChI key： PQLJMZWDDPYERB-ADXZGYQBSA-N
SMILES： O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc1oc3cc(O)cc4oc(c(O)c(c34)c1c2=O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • (10R)-1,5,11β-トリヒドロキシ-2,10α-ビス(3,4-ジヒドロキシフェニル)-11,12-ジヒドロ-10H,13H-3,7,9-トリオキサ-3H-ベンゾ[de]ナフタセン-13-オン
  • (6S,7R)-7,19-ビス(3,4-ジヒドロキシフェニル)-6,15,20-トリヒドロキシ-8,12,18-トリオキサペンタシクロ[11.7.1.02,11.04,9.017,21]ヘンイコサ-1,4(9),10,13,15,17(21),19-ヘプタエン-3-オン
  • (6S,7R)-7,19-bis(3,4-dihydroxyphenyl)-6,15,20-trihydroxy-8,12,18-trioxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),10,13,15,17(21),19-heptaen-3-one
Other name (3)：
  • (10R)-1,5,11β-Trihydroxy-2,10α-bis(3,4-dihydroxyphenyl)-11,12-dihydro-10H,13H-3,7,9-trioxa-3H-benzo[de]naphthacene-13-one
  • カテキノピラノシアニジンA
  • Catechinopyranocyanidin A
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