Chem
J-GLOBAL ID：200907071651195920
Nikkaji number：J1.697.366A
2-[[(2S)-2β-Vinyl-7α-(4-methoxybenzyloxy)-8β-(4-methoxybenzyloxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-3α-yl]oxy]-3-[(2R)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin-2α-yl]propionic acid tert-butyl ester
2-[[(2S)-2β-ビニル-7α-(4-メトキシベンジルオキシ)-8β-(4-メトキシベンジルオキシメチル)-3,4,7,8-テトラヒドロ-2H-オキソシン-3α-イル]オキシ]-3-[(2R)-3β-(4-メトキシベンジルオキシ)-4α-(ベンジルオキシ)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン-2α-イル]プロピオン酸tert-ブチル
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： C57H70O13
Molecular formula furigana： C57-H70-O13
Molecular weight： 963.174
InChI：
InChI=1S/C57H70O13/c1-8-46-48(19-14-18-47(64-35-41-22-28-44(60-6)29-23-41)52(67-46)38-62-34-40-20-26-43(59-5)27-21-40)68-51(56(58)70-57(2,3)4)33-50-54(65-37-42-24-30-45(61-7)31-25-42)55(66-36-39-15-10-9-11-16-39)53-49(69-50)17-12-13-32-63-53/h8-16,18,20-31,46-55H,1,17,19,32-38H2,2-7H3/t46-,47-,48+,49-,50+,51?,52+,53-,54+,55+/m0/s1
InChI key：
WDHWNIIBJWTKIJ-JYXQATNMSA-N
SMILES：
COc1ccc(COC[C@H]2O[C@@H](C=C)[C@@H](CC=C[C@@H]2OCc2ccc(OC)cc2)OC(C[C@H]2O[C@H]3CC=CCO[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccc(OC)cc2)C(=O)OC(C)(C)C)cc1
Systematic name (3)：
- 2-[[(2S)-2β-ビニル-7α-(4-メトキシベンジルオキシ)-8β-(4-メトキシベンジルオキシメチル)-3,4,7,8-テトラヒドロ-2H-オキソシン-3α-イル]オキシ]-3-[(2R)-3β-(4-メトキシベンジルオキシ)-4α-(ベンジルオキシ)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン-2α-イル]プロピオン酸tert-ブチル
- tert-ブチル 3-[(2R,3R,4R,4aS,9aS)-4-(ベンジルオキシ)-3-[(4-メトキシフェニル)メトキシ]-2H,3H,4H,4aH,6H,9H,9aH-ピラノ[3,2-b]オキセピン-2-イル]-2-{[(2S,3R,7S,8R)-2-エテニル-7-[(4-メトキシフェニル)メトキシ]-8-{[(4-メトキシフェニル)メトキシ]メチル}-3,4,7,8-テトラヒドロ-2H-オキソシン-3-イル]オキシ}プロパノアート
- tert-butyl 3-[(2R,3R,4R,4aS,9aS)-4-(benzyloxy)-3-[(4-methoxyphenyl)methoxy]-2H,3H,4H,4aH,6H,9H,9aH-pyrano[3,2-b]oxepin-2-yl]-2-{[(2S,3R,7S,8R)-2-ethenyl-7-[(4-methoxyphenyl)methoxy]-8-{[(4-methoxyphenyl)methoxy]methyl}-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy}propanoate
- 2-[[(2S)-2β-Vinyl-7α-(4-methoxybenzyloxy)-8β-(4-methoxybenzyloxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-3α-yl]oxy]-3-[(2R)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin-2α-yl]propionic acid tert-butyl ester
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