Chem
J-GLOBAL ID:200907059966444139   Nikkaji number:J442.527H

Capsianoside VI

カプシアノシドVI
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: C44H74O20
Molecular formula furigana: C44-H74-O20
Molecular weight: 923.056
InChI: InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12+,22-16+,23-15-/t24-,25-,26+,27+,28-,29-,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+/m0/s1
InChI key: WZQKUYVRQLGXCB-PGZUNJARSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC/C(=C\CC/C(=C/CC/C(=C/CC[C@](C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C)/C)/C)/C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (2Z,6E,10E,14S)-14-(β-D-グルコピラノシルオキシ)-2,6,10,14-テトラメチル-1-[3-O-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシル]-α-L-ラムノピラノシルオキシ]-2,6,10,15-ヘキサデカテトラエン
  • (2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[(2S,3S,4R,5R,6R)-3,5-ジヒドロキシ-2-メチル-6-{[(2Z,6E,10E,14S)-2,6,10,14-テトラメチル-14-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘキサデカ-2,6,10,15-テトラエン-1-イル]オキシ}オキサン-4-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
Other name (3):
  • カプシアノシドVI
  • Capsianoside VI
  • (2Z,6E,10E,14S)-14-(β-D-Glucopyranosyloxy)-2,6,10,14-tetramethyl-1-[3-O-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-α-L-rhamnopyranosyloxy]-2,6,10,15-hexadecatetrene
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