Chem
J-GLOBAL ID:201307037284068061
Nikkaji number:J3.172.603D
Mumeose H
ムメオースH
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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:
C27 H34 O16
Molecular formula furigana:
C27-H34-O16
Molecular weight:
614.553
InChI:
InChI=1S/C27H34O16/c1-13(31)37-22-19(11-29)42-27(12-30,25(22)41-20(35)9-6-16-4-7-17(34)8-5-16)43-26-24(39-15(3)33)23(38-14(2)32)21(36)18(10-28)40-26/h4-9,18-19,21-26,28-30,34,36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1
InChI key:
MVGJIEKABGWVCZ-PZHMIARSSA-N
SMILES:
CC(=O)O[C@@H]1[C@@H](CO)O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
Systematic name (3):
3-O-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-4-O-アセチル-2-デオキシ-β-D-フルクトフラノース-2-イル2-O,3-O-ジアセチル-α-D-グルコピラノシド
(2S,3S,4R,5R)-4-(アセチルオキシ)-2-{[(2R,3R,4S,5R,6R)-3,4-ビス(アセチルオキシ)-5-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2,5-ビス(ヒドロキシメチル)オキソラン-3-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
(2S,3S,4R,5R)-4-(acetyloxy)-2-{[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-bis(hydroxymethyl)oxolan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (3):
3-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-4-O-acetyl-2-deoxy-β-D-fructofuranose-2-yl 2-O,3-O-diacetyl-α-D-glucopyranoside
ムメオースH
Mumeose H
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