Chem
J-GLOBAL ID：200907073108856707   Nikkaji number：J425.958K

Nobotanin D

ノボタニンD
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： C34H26O22
Molecular formula furigana： C34-H26-O22
Molecular weight： 786.560
InChI： InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)52-7-18-25(45)28-29(34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9)55-33(51)11-6-17(40)24(44)27(47)20(11)19-10(32(50)54-28)5-16(39)23(43)26(19)46/h1-6,18,25,28-29,34-47H,7H2/t18-,25-,28+,29-,34+/m1/s1
InChI key： WKPZPHSGAOCQCK-BVDVGXJCSA-N
SMILES： O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Systematic name  (3)：
  • 1-O,6-O-ジガロイル-2-O,3-O-[(2,2′,3,3′,4,4′-ヘキサヒドロキシ[1,1′-ビフェニル]-6,6′-ジイル)ジカルボニル]-β-D-グルコピラノース
  • [(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-ヘプタヒドロキシ-8,17-ジオキソ-11-(3,4,5-トリヒドロキシベンゾイルオキシ)-9,12,16-トリオキサテトラシクロ[16.4.0.02,7.010,15]ドコサ-1(22),2,4,6,18,20-ヘキサエン-13-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
Other name (3)：
  • ノボタニンD
  • Nobotanin D
  • 1-O,6-O-Digalloyl-2-O,3-O-[(2,2′,3,3′,4,4′-hexahydroxy[1,1′-biphenyl]-6,6′-diyl)dicarbonyl]-β-D-glucopyranose
CAS registry number： 104758-06-7
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