Chem
J-GLOBAL ID：200907024904152370   Nikkaji number：J2.452.559G

Isocampneoside II

イソカンプネオシドII
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： C29H36O16
Molecular formula furigana： C29-H36-O16
Molecular weight： 640.591
InChI： InChI=1S/C29H36O16/c1-12-22(36)24(38)25(39)29(43-12)45-27-23(37)20(11-41-21(35)7-3-13-2-5-15(30)17(32)8-13)44-28(26(27)40)42-10-19(34)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-34,36-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
InChI key： CFUBHHJNQFDGOC-PTVWBZBRSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCC(O)c3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-ヒドロキシ-2-(3,4-ジヒドロキシフェニル)エチル6-O-[(E)-3-(3,4-ジヒドロキシフェニル)プロペノイル]-3-O-α-L-ラムノピラノシル-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-6-[2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエトキシ]-3,5-ジヒドロキシ-4-{[(2S,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}オキサン-2-イル]メチル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 2-Hydroxy-2-(3,4-dihydroxyphenyl)ethyl 6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-3-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
  • イソカンプネオシドII
  • Isocampneoside II
Thsaurus map：
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