Chem
J-GLOBAL ID:201307009861481794
Nikkaji number:J3.172.606I
Mumeose B
ムメオースB
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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:
C25 H32 O15
Molecular formula furigana:
C25-H32-O15
Molecular weight:
572.516
InChI:
InChI=1S/C25H32O15/c1-12(28)35-10-17-19(32)22(36-13(2)29)21(34)24(37-17)40-25(11-27)23(20(33)16(9-26)39-25)38-18(31)8-5-14-3-6-15(30)7-4-14/h3-8,16-17,19-24,26-27,30,32-34H,9-11H2,1-2H3/b8-5+/t16-,17-,19-,20-,21-,22+,23+,24-,25+/m1/s1
InChI key:
GRXCWAJNNHEMJK-OWIKANNWSA-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](O)[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3-O,6-O-ジアセチル-α-D-グルコピラノシド
(2S,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-4-(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3,5-ジ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)-4-(acetyloxy)-6-[(acetyloxy)methyl]-3,5-dihydroxyoxan-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 3-O,6-O-diacetyl-α-D-glucopyranoside
ムメオースB
Mumeose B
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