Chem
J-GLOBAL ID:201307004334125520
Nikkaji number:J3.172.607G
Mumeose C
ムメオースC
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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(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1
InChI key:
RVECJMKUWCVVGH-PZHMIARSSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O
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]-2-デオキシ-β-D-フルクトフラノース-2-イル2-O,3-O,6-O-トリアセチル-α-D-グルコピラノシド
(2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-3,4-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-5-ヒドロキシオキサン-2-イル]オキシ}-4-ヒドロキシ-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)-2-{[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxyoxan-2-yl]oxy}-4-hydroxy-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]-2-deoxy-β-D-fructofuranose-2-yl 2-O,3-O,6-O-triacetyl-α-D-glucopyranoside
ムメオースC
Mumeose C
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