Chem
J-GLOBAL ID:200907025423976686   Nikkaji number:J740.188D

(5R)-5β-(3,4,5-Trimethoxyphenyl)-9α-(4-fluoroanilino)-5,5aα,8aβ,9-tetrahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one

(5R)-5β-(3,4,5-トリメトキシフェニル)-9α-(4-フルオロアニリノ)-5,5aα,8aβ,9-テトラヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(8H)-オン
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: C28H26FNO7
Molecular formula furigana: C28-H26-F-N-O7
Molecular weight: 507.514
InChI: InChI=1S/C28H26FNO7/c1-32-22-8-14(9-23(33-2)27(22)34-3)24-17-10-20-21(37-13-36-20)11-18(17)26(19-12-35-28(31)25(19)24)30-16-6-4-15(29)5-7-16/h4-11,19,24-26,30H,12-13H2,1-3H3/t19-,24+,25-,26+/m0/s1
InChI key: IHTDCYVOYAJJIS-QNMIOERPSA-N
SMILES: COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(F)cc2)c2cc3OCOc3cc12
Systematic name  (5):
  • (5R)-5β-(3,4,5-トリメトキシフェニル)-9α-(4-フルオロアニリノ)-5,5aα,8aβ,9-テトラヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(8H)-オン
  • (5R)-5β-(3,4,5-トリメトキシフェニル)-9α-(4-フルオロフェニルアミノ)-5,5aα,6,8,8aβ,9-ヘキサヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6-オン
  • (5R)-5β-(3,4,5-トリメトキシフェニル)-7α-(ヒドロキシメチル)-8α-(4-フルオロフェニルアミノ)-5,6,7,8-テトラヒドロナフト[2,3-d]-1,3-ジオキソール-6β-カルボン酸6,7-ラクトン
  • (10R,11R,15S,16S)-16-[(4-フルオロフェニル)アミノ]-10-(3,4,5-トリメトキシフェニル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10R,11R,15S,16S)-16-[(4-fluorophenyl)amino]-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (3):
  • (5R)-5β-(3,4,5-Trimethoxyphenyl)-9α-(4-fluoroanilino)-5,5aα,8aβ,9-tetrahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one
  • (5R)-5β-(3,4,5-Trimethoxyphenyl)-9α-(4-fluorophenylamino)-5,5aα,6,8,8aβ,9-hexahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-6-one
  • (5R)-5β-(3,4,5-Trimethoxyphenyl)-7α-(hydroxymethyl)-8α-(4-fluorophenylamino)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole-6β-carboxylic acid 6,7-lactone
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