Chem
J-GLOBAL ID:200907001671457052
Nikkaji number:J410.470F
Plantamajoside
プランタマジョシド
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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:
C29 H36 O16
Molecular formula furigana:
C29-H36-O16
Molecular weight:
640.591
InChI:
InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChI key:
KFEFLPDKISUVNR-QJEHNBJNSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
2-(3,4-ジヒドロキシフェニル)エチル4-O-(3,4-ジヒドロキシシンナモイル)-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシド
(2R,3R,4R,5R,6R)-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-5-ヒドロキシ-2-(ヒドロキシメチル)-4-{[(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}オキサン-3-イル (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,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (7):
プランタマジョシド
Plantamajoside
2-(3,4-Dihydroxyphenyl)ethyl 4-O-(3,4-dihydroxycinnamoyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
プランタモシド
Plantamoside
パープレアシドA
Purpureaside A
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CAS registry number:
104777-68-6
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