Chem
J-GLOBAL ID：200907094942609595   Nikkaji number：J1.697.373D

(1S,3R,8S,12R,14S)-6-Isopropyl-6-(triisopropylsilyloxy)-14-[[(2R)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin-2α-yl]methyl]-2,5,7,13-tetraoxa-6-silatricyclo[10.5.0.03,8]heptadecane-9,16-diene-15-one

(1S,3R,8S,12R,14S)-6-イソプロピル-6-(トリイソプロピルシリルオキシ)-14-[[(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]メチル]-2,5,7,13-テトラオキサ-6-シラトリシクロ[10.5.0.03,8]ヘプタデカン-9,16-ジエン-15-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： C49H70O11Si2
Molecular formula furigana： C49-H70-O11-SI2
Molecular weight： 891.258
InChI： InChI=1S/C49H70O11Si2/c1-32(2)61(33(3)4,34(5)6)60-62(35(7)8)55-31-46-42(59-62)20-15-19-40-41(57-46)26-25-39(50)44(56-40)28-45-48(53-30-37-21-23-38(51-9)24-22-37)49(54-29-36-16-11-10-12-17-36)47-43(58-45)18-13-14-27-52-47/h10-17,20-26,32-35,40-49H,18-19,27-31H2,1-9H3/t40-,41+,42+,43+,44+,45-,46-,47+,48-,49-,62?/m1/s1
InChI key： HJEUDTQXYSKAIK-ZIOIWGGCSA-N
SMILES： COc1ccc(CO[C@@H]2[C@@H](C[C@@H]3O[C@@H]4CC=C[C@@H]5O[Si](O[Si](C(C)C)(C(C)C)C(C)C)(OC[C@H]5O[C@H]4C=CC3=O)C(C)C)O[C@H]3CC=CCO[C@@H]3[C@H]2OCc2ccccc2)cc1
Systematic name  (3)：
  • (1S,3R,8S,12R,14S)-6-イソプロピル-6-(トリイソプロピルシリルオキシ)-14-[[(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]メチル]-2,5,7,13-テトラオキサ-6-シラトリシクロ[10.5.0.03,8]ヘプタデカン-9,16-ジエン-15-オン
  • (1S,3R,8S,12R,14S)-14-{[(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]メチル}-6-(プロパン-2-イル)-6-{[トリス(プロパン-2-イル)シリル]オキシ}-2,5,7,13-テトラオキサ-6-シラトリシクロ[10.5.0.03,8]ヘプタデカ-9,16-ジエン-15-オン
  • (1S,3R,8S,12R,14S)-14-{[(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]methyl}-6-(propan-2-yl)-6-{[tris(propan-2-yl)silyl]oxy}-2,5,7,13-tetraoxa-6-silatricyclo[10.5.0.03,8]heptadeca-9,16-dien-15-one
Other name (1)：
  • (1S,3R,8S,12R,14S)-6-Isopropyl-6-(triisopropylsilyloxy)-14-[[(2R)-3β-(4-methoxybenzyloxy)-4α-(benzyloxy)-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin-2α-yl]methyl]-2,5,7,13-tetraoxa-6-silatricyclo[10.5.0.03,8]heptadecane-9,16-diene-15-one
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