Chem
J-GLOBAL ID：200907074279338581   Nikkaji number：J2.086.759K

(4R,6R)-2,2-Dimethyl-4-[[(4S,5S,6S)-2,2-dimethyl-5-vinyl-6-allyl-1,3-dioxane-4-yl]methyl]-6-[(1R)-1,3-bis(benzyloxy)propyl]-1,3-dioxane-4-carbonitrile

(4R,6R)-2,2-ジメチル-4-[[(4S,5S,6S)-2,2-ジメチル-5-ビニル-6-アリル-1,3-ジオキサン-4-イル]メチル]-6-[(1R)-1,3-ビス(ベンジルオキシ)プロピル]-1,3-ジオキサン-4-カルボニトリル
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： C36H47NO6
Molecular formula furigana： C36-H47-N-O6
Molecular weight： 589.773
InChI： InChI=1S/C36H47NO6/c1-7-15-30-29(8-2)32(41-34(3,4)40-30)22-36(26-37)23-33(42-35(5,6)43-36)31(39-25-28-18-13-10-14-19-28)20-21-38-24-27-16-11-9-12-17-27/h7-14,16-19,29-33H,1-2,15,20-25H2,3-6H3/t29-,30-,31+,32-,33+,36+/m0/s1
InChI key： DQGKMGMRJAHJRN-QGRYGBTLSA-N
SMILES： CC1(C)O[C@@H](CC=C)[C@H](C=C)[C@H](C[C@@]2(C[C@@H](OC(C)(C)O2)[C@@H](CCOCc2ccccc2)OCc2ccccc2)C#N)O1
Systematic name  (3)：
  • (4R,6R)-2,2-ジメチル-4-[[(4S,5S,6S)-2,2-ジメチル-5-ビニル-6-アリル-1,3-ジオキサン-4-イル]メチル]-6-[(1R)-1,3-ビス(ベンジルオキシ)プロピル]-1,3-ジオキサン-4-カルボニトリル
  • (4R,6R)-6-[(1R)-1,3-ビス(ベンジルオキシ)プロピル]-4-{[(4S,5S,6S)-5-エテニル-2,2-ジメチル-6-(プロパ-2-エン-1-イル)-1,3-ジオキサン-4-イル]メチル}-2,2-ジメチル-1,3-ジオキサン-4-カルボニトリル
  • (4R,6R)-6-[(1R)-1,3-bis(benzyloxy)propyl]-4-{[(4S,5S,6S)-5-ethenyl-2,2-dimethyl-6-(prop-2-en-1-yl)-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-dioxane-4-carbonitrile
Other name (1)：
  • (4R,6R)-2,2-Dimethyl-4-[[(4S,5S,6S)-2,2-dimethyl-5-vinyl-6-allyl-1,3-dioxane-4-yl]methyl]-6-[(1R)-1,3-bis(benzyloxy)propyl]-1,3-dioxane-4-carbonitrile
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