Chem
J-GLOBAL ID：200907005352114830   Nikkaji number：J1.724.978I

(2S)-4-[(2R)-3,4,4aα,6,9,9aβ-Hexahydro-2α-(benzyloxymethyl)-3β,4α-bis(benzyloxy)-2H-pyrano[3,2-b]oxepin-6β-yl]-3-butene-1,2-diol

(2S)-4-[(2R)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2α-(ベンジルオキシメチル)-3β,4α-ビス(ベンジルオキシ)-2H-ピラノ[3,2-b]オキセピン-6β-イル]-3-ブテン-1,2-ジオール
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： C35H40O7
Molecular formula furigana： C35-H40-O7
Molecular weight： 572.698
InChI： InChI=1S/C35H40O7/c36-21-29(37)19-20-30-17-10-18-31-34(41-30)35(40-24-28-15-8-3-9-16-28)33(39-23-27-13-6-2-7-14-27)32(42-31)25-38-22-26-11-4-1-5-12-26/h1-17,19-20,29-37H,18,21-25H2/t29-,30+,31-,32+,33+,34-,35-/m0/s1
InChI key： JKEOKPQAWUUGFP-OHBAKADOSA-N
SMILES： OC[C@@H](O)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)：
  • (2S)-4-[(2R)-3,4,4aα,6,9,9aβ-ヘキサヒドロ-2α-(ベンジルオキシメチル)-3β,4α-ビス(ベンジルオキシ)-2H-ピラノ[3,2-b]オキセピン-6β-イル]-3-ブテン-1,2-ジオール
  • (2S)-4-[(2R,3R,4S,4aS,6R,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]ブタ-3-エン-1,2-ジオール
  • (2S)-4-[(2R,3R,4S,4aS,6R,9aS)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-2H,3H,4H,4aH,6H,9H,9aH-pyrano[3,2-b]oxepin-6-yl]but-3-ene-1,2-diol
Other name (1)：
  • (2S)-4-[(2R)-3,4,4aα,6,9,9aβ-Hexahydro-2α-(benzyloxymethyl)-3β,4α-bis(benzyloxy)-2H-pyrano[3,2-b]oxepin-6β-yl]-3-butene-1,2-diol
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