Chem
J-GLOBAL ID:200907016319919701   Nikkaji number:J579.636I

(6α)-5,6,7,8-Tetrahydro-8α-hydroxy-7α-(hydroxymethyl)-5β-(3,4,5-trimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6α-carboxylic acid methyl ester

(6α)-5,6,7,8-テトラヒドロ-8α-ヒドロキシ-7α-(ヒドロキシメチル)-5β-(3,4,5-トリメトキシフェニル)ナフト[2,3-d]-1,3-ジオキソール-6α-カルボン酸メチル
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: C23H26O9
Molecular formula furigana: C23-H26-O9
Molecular weight: 446.452
InChI: InChI=1S/C23H26O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-21,24-25H,9-10H2,1-4H3/t14-,19+,20+,21+/m0/s1
InChI key: HBBWXDGEOJRBFR-RKTMXUFFSA-N
SMILES: COC(=O)[C@@H]1[C@H](CO)[C@H](O)c2cc3OCOc3cc2[C@H]1c1cc(OC)c(OC)c(OC)c1
Systematic name  (3):
  • (6α)-5,6,7,8-テトラヒドロ-8α-ヒドロキシ-7α-(ヒドロキシメチル)-5β-(3,4,5-トリメトキシフェニル)ナフト[2,3-d]-1,3-ジオキソール-6α-カルボン酸メチル
  • メチル (5R,6S,7R,8S)-8-ヒドロキシ-7-(ヒドロキシメチル)-5-(3,4,5-トリメトキシフェニル)-2H,5H,6H,7H,8H-ナフト[2,3-d][1,3]ジオキソール-6-カルボキシラート
  • methyl (5R,6S,7R,8S)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxylate
Other name (1):
  • (6α)-5,6,7,8-Tetrahydro-8α-hydroxy-7α-(hydroxymethyl)-5β-(3,4,5-trimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6α-carboxylic acid methyl ester
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