Chem
J-GLOBAL ID：200907079126638367   Nikkaji number：J1.134.409G

(2R)-2α-(Benzyloxymethyl)-3β,4α-bis(benzyloxy)-6α-[(3S)-3,4-diacetoxy-1-butenyl]-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin

(2R)-2α-(ベンジルオキシメチル)-3β,4α-ビス(ベンジルオキシ)-6α-[(3S)-3,4-ジアセトキシ-1-ブテニル]-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン
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： C39H44O9
Molecular formula furigana： C39-H44-O9
Molecular weight： 656.772
InChI： InChI=1S/C39H44O9/c1-28(40)43-26-34(46-29(2)41)22-21-33-19-12-20-35-38(47-33)39(45-25-32-17-10-5-11-18-32)37(44-24-31-15-8-4-9-16-31)36(48-35)27-42-23-30-13-6-3-7-14-30/h3-19,21-22,33-39H,20,23-27H2,1-2H3/t33-,34-,35-,36+,37+,38-,39-/m0/s1
InChI key： FMNSNSPDCVQODH-JRUDYOHDSA-N
SMILES： CC(=O)OC[C@@H](OC(=O)C)C=C[C@H]1O[C@H]2[C@H](CC=C1)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1
Systematic name  (3)：
  • (2R)-2α-(ベンジルオキシメチル)-3β,4α-ビス(ベンジルオキシ)-6α-[(3S)-3,4-ジアセトキシ-1-ブテニル]-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2H-ピラノ[3,2-b]オキセピン
  • (2S)-4-[(2R,3R,4S,4aS,6S,9aS)-3,4-ビス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-2H,3H,4H,4aH,6H,9H,9aH-ピラノ[3,2-b]オキセピン-6-イル]-1-(アセチルオキシ)ブタ-3-エン-2-イル アセタート
  • (2S)-4-[(2R,3R,4S,4aS,6S,9aS)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-2H,3H,4H,4aH,6H,9H,9aH-pyrano[3,2-b]oxepin-6-yl]-1-(acetyloxy)but-3-en-2-yl acetate
Other name (1)：
  • (2R)-2α-(Benzyloxymethyl)-3β,4α-bis(benzyloxy)-6α-[(3S)-3,4-diacetoxy-1-butenyl]-3,4,4aα,6,9,9aβ-hexahydro-2H-pyrano[3,2-b]oxepin
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