Chem
J-GLOBAL ID:200907026115070931   Nikkaji number:J686.542I

(2S,3S)-2,3-Dihydro-2α-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuran-1-propanol triacetate

酢酸3-[2α-(3-メトキシ-4-アセトキシフェニル)-3α-(アセトキシメチル)-7-メトキシクマラン-5-イル]プロピル
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: C26H30O9
Molecular formula furigana: C26-H30-O9
Molecular weight: 486.517
InChI: InChI=1S/C26H30O9/c1-15(27)32-10-6-7-18-11-20-21(14-33-16(2)28)25(35-26(20)24(12-18)31-5)19-8-9-22(34-17(3)29)23(13-19)30-4/h8-9,11-13,21,25H,6-7,10,14H2,1-5H3/t21-,25-/m1/s1
InChI key: GZYBRZKGRORIHQ-PXDATVDWSA-N
SMILES: COc1cc(CCCOC(=O)C)cc2[C@@H](COC(=O)C)[C@H](Oc12)c1ccc(OC(=O)C)c(OC)c1
Systematic name  (4):
  • 酢酸3-[2α-(3-メトキシ-4-アセトキシフェニル)-3α-(アセトキシメチル)-7-メトキシクマラン-5-イル]プロピル
  • (2S,3S)-2,3-ジヒドロ-2α-(4-ヒドロキシ-3-メトキシフェニル)-3-(ヒドロキシメチル)-7-メトキシ-5-ベンゾフラン-1-プロパノールトリアセタート
  • [(2S,3S)-2-[4-(アセチルオキシ)-3-メトキシフェニル]-5-[3-(アセチルオキシ)プロピル]-7-メトキシ-2,3-ジヒドロ-1-ベンゾフラン-3-イル]メチル アセタート
  • [(2S,3S)-2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
Other name (1):
  • (2S,3S)-2,3-Dihydro-2α-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuran-1-propanol triacetate
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