Chem
J-GLOBAL ID:200907016616857286   Nikkaji number:J1.847.406I

(5S)-5-(4-Methoxybenzyloxy)-5-[(2R,8aβ)-2α-phenyl-4aα,6-dimethyl-7α-hydroxyhexahydropyrano[3,2-d]-1,3-dioxin-6β-yl]-2-pentenoic acid methyl ester

(5S)-5-(4-メトキシベンジルオキシ)-5-[(2R,8aβ)-2α-フェニル-4aα,6-ジメチル-7α-ヒドロキシヘキサヒドロピラノ[3,2-d]-1,3-ジオキシン-6β-イル]-2-ペンテン酸メチル
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: C29H36O8
Molecular formula furigana: C29-H36-O8
Molecular weight: 512.599
InChI: InChI=1S/C29H36O8/c1-28-19-35-27(21-9-6-5-7-10-21)36-25(28)17-23(30)29(2,37-28)24(11-8-12-26(31)33-4)34-18-20-13-15-22(32-3)16-14-20/h5-10,12-16,23-25,27,30H,11,17-19H2,1-4H3/t23-,24+,25+,27-,28-,29-/m1/s1
InChI key: IFXAXENVQPATMV-BLJJDJEASA-N
SMILES: COC(=O)C=CC[C@H](OCc1ccc(OC)cc1)[C@]1(C)O[C@]2(C)CO[C@H](O[C@H]2C[C@H]1O)c1ccccc1
Systematic name  (3):
  • (5S)-5-(4-メトキシベンジルオキシ)-5-[(2R,8aβ)-2α-フェニル-4aα,6-ジメチル-7α-ヒドロキシヘキサヒドロピラノ[3,2-d]-1,3-ジオキシン-6β-イル]-2-ペンテン酸メチル
  • メチル (5S)-5-[(2R,4aR,6R,7R,8aS)-7-ヒドロキシ-4a,6-ジメチル-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]-5-[(4-メトキシフェニル)メトキシ]ペンタ-2-エノアート
  • methyl (5S)-5-[(2R,4aR,6R,7R,8aS)-7-hydroxy-4a,6-dimethyl-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]-5-[(4-methoxyphenyl)methoxy]pent-2-enoate
Other name (1):
  • (5S)-5-(4-Methoxybenzyloxy)-5-[(2R,8aβ)-2α-phenyl-4aα,6-dimethyl-7α-hydroxyhexahydropyrano[3,2-d]-1,3-dioxin-6β-yl]-2-pentenoic acid methyl ester
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