Chem
J-GLOBAL ID:200907016965384786   Nikkaji number:J592.762E

Viodelphin

ビオデルフィン
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: C53H59O29[O+]
Molecular formula furigana: C53-H59-O30
Molecular weight: 1176.024
InChI: InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1
InChI key: YODABPUZPVYDEF-CIBWSIAMSA-O
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5O[C@H](COC(=O)c6ccc(O[C@@H]7O[C@H](COC(=O)c8ccc(O)cc8)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • 2-(3,4,5-トリヒドロキシフェニル)-3-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]5-ヒドロキシ-7-[6-O-[4-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]ベンゾイル]-β-D-グルコピラノシルオキシ]-1-ベンゾピリリウム
  • 2-(3,4,5-トリヒドロキシフェニル)-3-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-5-ヒドロキシ-7-[6-O-[4-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]ベンゾイル]-β-D-グルコピラノシルオキシ]-1-ベンゾピリリウム
  • 5-ヒドロキシ-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-[(4-ヒドロキシベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}ベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}-2-(3,4,5-トリヒドロキシフェニル)-1λ4-クロメン-1-イリウム
  • 5-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoyloxy)methyl]oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (6):
  • ビオデルフィン
  • Viodelphin
  • 2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]5-hydroxy-7-[6-O-[4-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]benzoyl]-β-D-glucopyranosyloxy]-1-benzopyrylium
  • 2-(3,4,5-Trihydroxyphenyl)-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-5-hydroxy-7-[6-O-[4-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]benzoyl]-β-D-glucopyranosyloxy]-1-benzopyrylium
  • ビオルデルフィン
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CAS registry number: 126417-59-2
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