Chem
J-GLOBAL ID：200907049808638311
Nikkaji number：J1.883.285B
PrunoseIII
プルノースIII
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
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
Molecular formula： C29H36O17
Molecular formula furigana： C29-H36-O17
Molecular weight： 656.590
InChI：
InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1
InChI key：
GHWCYGFRVFZILX-XQUPJRSRSA-N
SMILES：
CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(=O)C)[C@H]2O)[C@H](O)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name (3)：
- 2-O-[3-O,4-O,6-O-トリアセチル-α-D-グルコピラノシル]-β-D-ソルボフラノース6-[(E)-4-ヒドロキシシンナマート]4-アセタート
- [(2R,3R,4R,5S)-3-(アセチルオキシ)-5-{[(2R,3R,4R,5R,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-ヒドロキシオキサン-2-イル]オキシ}-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]メチル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
- [(2R,3R,4R,5S)-3-(acetyloxy)-5-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
- 2-O-[3-O,4-O,6-O-Triacetyl-α-D-glucopyranosyl]-β-D-sorbofuranose 6-[(E)-4-hydroxycinnamate]4-acetate
- プルノースIII
- PrunoseIII
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