Chem
J-GLOBAL ID：200907065154665140   Nikkaji number：J1.149.710A

3-[2,3-Dihydro-2α-(4-acetoxy-3-methoxyphenyl)-3β-(acetoxymethyl)-1,4-benzodioxin-7-yl]propyl β-L-rhamnopyranoside

3-[2,3-ジヒドロ-2α-(4-アセトキシ-3-メトキシフェニル)-3β-(アセトキシメチル)-1,4-ベンゾジオキシン-7-イル]プロピルβ-L-ラムノピラノシド
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： C29H36O12
Molecular formula furigana： C29-H36-O12
Molecular weight： 576.595
InChI： InChI=1S/C29H36O12/c1-15-25(32)26(33)27(34)29(38-15)36-11-5-6-18-7-9-21-23(12-18)41-28(24(40-21)14-37-16(2)30)19-8-10-20(39-17(3)31)22(13-19)35-4/h7-10,12-13,15,24-29,32-34H,5-6,11,14H2,1-4H3/t15-,24+,25-,26+,27+,28+,29-/m0/s1
InChI key： QUZHYBNSIMVWOG-LHKBWXCKSA-N
SMILES： COc1cc(ccc1OC(=O)C)[C@H]1Oc2cc(CCCO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)ccc2O[C@@H]1COC(=O)C
Systematic name  (3)：
  • 3-[2,3-ジヒドロ-2α-(4-アセトキシ-3-メトキシフェニル)-3β-(アセトキシメチル)-1,4-ベンゾジオキシン-7-イル]プロピルβ-L-ラムノピラノシド
  • [(2R,3R)-3-[4-(アセチルオキシ)-3-メトキシフェニル]-6-(3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}プロピル)-2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル]メチル アセタート
  • [(2R,3R)-3-[4-(acetyloxy)-3-methoxyphenyl]-6-(3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl acetate
Other name (1)：
  • 3-[2,3-Dihydro-2α-(4-acetoxy-3-methoxyphenyl)-3β-(acetoxymethyl)-1,4-benzodioxin-7-yl]propyl β-L-rhamnopyranoside
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