Chem
J-GLOBAL ID:200907048313343190   Nikkaji number:J2.220.803I

(3R)-3β-[(1R,2S)-1-Methyl-2-hydroxy-3-[(2R)-3,3-dimethyl-4α-(tert-butyldimethylsiloxy)-6β-cyanotetrahydro-2H-pyran-2α-yl]propyl]-5-methyl-6,8-bis(4-methoxybenzyloxy)-3,4-dihydro-1H-2-benzopyran-1-one

(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-6,8-ビス[(4-メトキシフェニル)メトキシ]-5-メチル-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-3-イル]-2-ヒドロキシブチル]-4-[(tert-ブチルジメチルシリル)オキシ]-5,5-ジメチルオキサン-2-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: C44H59NO9Si
Molecular formula furigana: C44-H59-N-O9-SI
Molecular weight: 774.039
InChI: InChI=1S/C44H59NO9Si/c1-27-34-21-37(28(2)35(46)22-39-44(6,7)40(20-33(24-45)52-39)54-55(10,11)43(3,4)5)53-42(47)41(34)38(51-26-30-14-18-32(49-9)19-15-30)23-36(27)50-25-29-12-16-31(48-8)17-13-29/h12-19,23,28,33,35,37,39-40,46H,20-22,25-26H2,1-11H3/t28-,33+,35+,37-,39-,40-/m1/s1
InChI key: XYGWLBYMGCSQLN-GEEFJHFESA-N
SMILES: COc1ccc(COc2cc(OCc3ccc(OC)cc3)c3C(=O)O[C@H](Cc3c2C)[C@H](C)[C@@H](O)C[C@H]2O[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C2(C)C)C#N)cc1
Systematic name  (3):
  • (3R)-3β-[(1R,2S)-1-メチル-2-ヒドロキシ-3-[(2R)-3,3-ジメチル-4α-(tert-ブチルジメチルシロキシ)-6β-シアノテトラヒドロ-2H-ピラン-2α-イル]プロピル]-5-メチル-6,8-ビス(4-メトキシベンジルオキシ)-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • (2S,4R,6R)-6-[(2S,3R)-3-[(3R)-6,8-ビス[(4-メトキシフェニル)メトキシ]-5-メチル-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-3-イル]-2-ヒドロキシブチル]-4-[(tert-ブチルジメチルシリル)オキシ]-5,5-ジメチルオキサン-2-カルボニトリル
  • (2S,4R,6R)-6-[(2S,3R)-3-[(3R)-6,8-bis[(4-methoxyphenyl)methoxy]-5-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-2-hydroxybutyl]-4-[(tert-butyldimethylsilyl)oxy]-5,5-dimethyloxane-2-carbonitrile
Other name (1):
  • (3R)-3β-[(1R,2S)-1-Methyl-2-hydroxy-3-[(2R)-3,3-dimethyl-4α-(tert-butyldimethylsiloxy)-6β-cyanotetrahydro-2H-pyran-2α-yl]propyl]-5-methyl-6,8-bis(4-methoxybenzyloxy)-3,4-dihydro-1H-2-benzopyran-1-one
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