Chem
J-GLOBAL ID:200907092523900880
Nikkaji number:J501.085C
Multinoside A acetate
ムルチノシドAアセタート
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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 H32 O17
Molecular formula furigana:
C29-H32-O17
Molecular weight:
652.558
InChI:
InChI=1S/C29H32O17/c1-9-25(45-29-23(39)21(37)19(35)17(44-29)8-41-10(2)30)22(38)24(40)28(42-9)46-27-20(36)18-15(34)6-12(31)7-16(18)43-26(27)11-3-4-13(32)14(33)5-11/h3-7,9,17,19,21-25,28-29,31-35,37-40H,8H2,1-2H3/t9-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1
InChI key:
AATRYBSLZLJIJX-MNMPECKNSA-N
SMILES:
C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (4):
3-[[4-O-(6-O-アセチル-β-D-グルコピラノシル)-α-L-ラムノピラノシル]オキシ]-3′,4′,5,7-テトラヒドロキシフラボン
3-[4-O-(6-O-アセチル-β-D-グルコピラノシル)-α-L-ラムノピラノシルオキシ]-3′,4′,5,7-テトラヒドロキシフラボン
[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5R,6S)-6-{[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-4,5-ジヒドロキシ-2-メチルオキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (4):
ムルチノシドAアセタート
Multinoside A acetate
3-[[4-O-(6-O-Acetyl-β-D-glucopyranosyl)-α-L-rhamnopyranosyl]oxy]-3′,4′,5,7-tetrahydroxyflavone
3-[4-O-(6-O-Acetyl-β-D-glucopyranosyl)-α-L-rhamnopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone
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