Chem
J-GLOBAL ID：200907084452788399
Nikkaji number：J1.710.446B
Triacetic acid (2S)-2α,2′α,2′′α-tris(4-acetoxyphenyl)-3′′β-(3,5-diacetoxyphenyl)-6-(4-acetoxy-trans-styryl)-2,2′,2′′,3,3′,3′′-hexahydro-3β,6′:3′β,6′′-terbenzofuran-4,4′,4′′-triyl ester
三酢酸(2S)-2α,2′α,2′′α-トリス(4-アセトキシフェニル)-3′′β-(3,5-ジアセトキシフェニル)-6-(4-アセトキシ-trans-スチリル)-2,2′,2′′,3,3′,3′′-ヘキサヒドロ-3β,6′:3′β,6′′-テルベンゾフラン-4,4′,4′′-トリイル
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
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
Molecular formula： C74H60O21
Molecular formula furigana： C74-H60-O21
Molecular weight： 1285.273
InChI：
InChI=1S/C74H60O21/c1-37(75)84-54-20-12-46(13-21-54)10-11-47-28-60(90-43(7)81)69-61(29-47)93-73(49-16-24-56(25-17-49)86-39(3)77)67(69)52-32-63(92-45(9)83)71-65(34-52)95-74(50-18-26-57(27-19-50)87-40(4)78)68(71)53-33-62(91-44(8)82)70-64(35-53)94-72(48-14-22-55(23-15-48)85-38(2)76)66(70)51-30-58(88-41(5)79)36-59(31-51)89-42(6)80/h10-36,66-68,72-74H,1-9H3/b11-10+/t66-,67-,68-,72+,73+,74+/m0/s1
InChI key：
ZDICJNAUJKGJBB-LPSAXFGOSA-N
SMILES：
CC(=O)Oc1ccc(/C=C/c2cc3O[C@@H]([C@H](c3c(OC(=O)C)c2)c2cc3O[C@@H]([C@H](c3c(OC(=O)C)c2)c2cc3O[C@@H]([C@H](c3c(OC(=O)C)c2)c2cc(OC(=O)C)cc(OC(=O)C)c2)c2ccc(OC(=O)C)cc2)c2ccc(OC(=O)C)cc2)c2ccc(OC(=O)C)cc2)cc1
Systematic name (3)：
- 三酢酸(2S)-2α,2′α,2′′α-トリス(4-アセトキシフェニル)-3′′β-(3,5-ジアセトキシフェニル)-6-(4-アセトキシ-trans-スチリル)-2,2′,2′′,3,3′,3′′-ヘキサヒドロ-3β,6′:3′β,6′′-テルベンゾフラン-4,4′,4′′-トリイル
- (2S,3S)-3-[(2S,3S)-4-(アセチルオキシ)-3-[(2S,3S)-4-(アセチルオキシ)-2-[4-(アセチルオキシ)フェニル]-3-[3,5-ビス(アセチルオキシ)フェニル]-2,3-ジヒドロ-1-ベンゾフラン-6-イル]-2-[4-(アセチルオキシ)フェニル]-2,3-ジヒドロ-1-ベンゾフラン-6-イル]-2-[4-(アセチルオキシ)フェニル]-6-[(1E)-2-[4-(アセチルオキシ)フェニル]エテニル]-2,3-ジヒドロ-1-ベンゾフラン-4-イル アセタート
- (2S,3S)-3-[(2S,3S)-4-(acetyloxy)-3-[(2S,3S)-4-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(acetyloxy)phenyl]-6-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]-2,3-dihydro-1-benzofuran-4-yl acetate
- Triacetic acid (2S)-2α,2′α,2′′α-tris(4-acetoxyphenyl)-3′′β-(3,5-diacetoxyphenyl)-6-(4-acetoxy-trans-styryl)-2,2′,2′′,3,3′,3′′-hexahydro-3β,6′:3′β,6′′-terbenzofuran-4,4′,4′′-triyl ester
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