Chem
J-GLOBAL ID:200907048511594998   Nikkaji number:J2.684.263H

2,2,8,8-Tetramethoxy-3,7-dioxo-4a,10-bis[3-oxo-3-[[(R)-α-(methoxycarbonyl)-3,4-bis[4-(trifluoromethyl)benzyloxy]phenethyl]oxy]-1-propenyl]-1,4-etheno-1,2,3,4,4a,7,8,8a-octahydronaphthalene

2,2,8,8-テトラメトキシ-3,7-ジオキソ-4a,10-ビス[3-オキソ-3-[[(R)-α-(メトキシカルボニル)-3,4-ビス[4-(トリフルオロメチル)ベンジルオキシ]フェネチル]オキシ]-1-プロペニル]-1,4-エテノ-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン
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: C74H64F12O18
Molecular formula furigana: C74-H64-F12-O18
Molecular weight: 1469.289
InChI: InChI=1S/C74H64F12O18/c1-93-66(91)58(35-46-15-26-54(99-38-42-7-18-49(19-8-42)71(75,76)77)56(33-46)101-40-44-11-22-51(23-12-44)73(81,82)83)103-61(88)28-17-48-37-53-65(90)70(97-5,98-6)63(48)64-68(53,31-29-60(87)69(64,95-3)96-4)32-30-62(89)104-59(67(92)94-2)36-47-16-27-55(100-39-43-9-20-50(21-10-43)72(78,79)80)57(34-47)102-41-45-13-24-52(25-14-45)74(84,85)86/h7-34,37,53,58-59,63-64H,35-36,38-41H2,1-6H3/t53?,58-,59-,63?,64?,68?/m1/s1
InChI key: APEHBNIHZYMADB-JQGNMHHDSA-N
SMILES: COC(=O)[C@@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)c(OCc2ccc(cc2)C(F)(F)F)c1)OC(=O)C=CC1=CC2C(=O)C(OC)(OC)C1C1C(OC)(OC)C(=O)C=CC21C=CC(=O)O[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)c(OCc2ccc(cc2)C(F)(F)F)c1)C(=O)OC
Systematic name  (3):
  • 2,2,8,8-テトラメトキシ-3,7-ジオキソ-4a,10-ビス[3-オキソ-3-[[(R)-α-(メトキシカルボニル)-3,4-ビス[4-(トリフルオロメチル)ベンジルオキシ]フェネチル]オキシ]-1-プロペニル]-1,4-エテノ-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン
  • (2R)-3-[3,4-ビス({[4-(トリフルオロメチル)フェニル]メトキシ})フェニル]-1-メトキシ-1-オキソプロパン-2-イル 3-[2-(3-{[(2R)-3-[3,4-ビス({[4-(トリフルオロメチル)フェニル]メトキシ})フェニル]-1-メトキシ-1-オキソプロパン-2-イル]オキシ}-3-オキソプロパ-1-エン-1-イル)-6,6,12,12-テトラメトキシ-5,11-ジオキソトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-9-イル]プロパ-2-エノアート
  • (2R)-3-[3,4-bis({[4-(trifluoromethyl)phenyl]methoxy})phenyl]-1-methoxy-1-oxopropan-2-yl 3-[2-(3-{[(2R)-3-[3,4-bis({[4-(trifluoromethyl)phenyl]methoxy})phenyl]-1-methoxy-1-oxopropan-2-yl]oxy}-3-oxoprop-1-en-1-yl)-6,6,12,12-tetramethoxy-5,11-dioxotricyclo[6.2.2.02,7]dodeca-3,9-dien-9-yl]prop-2-enoate
Other name (1):
  • 2,2,8,8-Tetramethoxy-3,7-dioxo-4a,10-bis[3-oxo-3-[[(R)-α-(methoxycarbonyl)-3,4-bis[4-(trifluoromethyl)benzyloxy]phenethyl]oxy]-1-propenyl]-1,4-etheno-1,2,3,4,4a,7,8,8a-octahydronaphthalene
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