Chem
J-GLOBAL ID:200907013411894449   Nikkaji number:J2.057.472K

(2S,4E,6E)-2α-[(1R)-2α-(4-Methoxybenzyloxymethyl)cyclopentane-1β-yl]-8α-hydroxy-9α,11α,13α,15α-tetramethyl-16β-(tert-butyldimethylsiloxy)-18-oxooxacyclooctadeca-4,6-diene-7-carbonitrile

(2S,4E,6E)-2α-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロペンタン-1β-イル]-8α-ヒドロキシ-9α,11α,13α,15α-テトラメチル-16β-(tert-ブチルジメチルシロキシ)-18-オキソオキサシクロオクタデカ-4,6-ジエン-7-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: C42H67NO6Si
Molecular formula furigana: C42-H67-N-O6-SI
Molecular weight: 710.084
InChI: InChI=1S/C42H67NO6Si/c1-29-22-30(2)24-32(4)41(45)34(26-43)14-11-12-17-38(48-40(44)25-39(31(3)23-29)49-50(9,10)42(5,6)7)37-16-13-15-35(37)28-47-27-33-18-20-36(46-8)21-19-33/h11-12,14,18-21,29-32,35,37-39,41,45H,13,15-17,22-25,27-28H2,1-10H3/b12-11+,34-14+/t29-,30?,31-,32+,35-,37+,38-,39?,41+/m0/s1
InChI key: UQUNPWSMLWPDBH-JMDITIJISA-N
SMILES: COc1ccc(COC[C@@H]2CCC[C@H]2[C@@H]2C/C=C/C=C(\C#N)/[C@H](O)[C@H](C)CC(C)C[C@H](C)C[C@H](C)C(CC(=O)O2)O[Si](C)(C)C(C)(C)C)cc1
Systematic name  (3):
  • (2S,4E,6E)-2α-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロペンタン-1β-イル]-8α-ヒドロキシ-9α,11α,13α,15α-テトラメチル-16β-(tert-ブチルジメチルシロキシ)-18-オキソオキサシクロオクタデカ-4,6-ジエン-7-カルボニトリル
  • (2S,4E,6E,8R,9R,11R,13S,15S,16S)-16-[(tert-ブチルジメチルシリル)オキシ]-8-ヒドロキシ-2-[(1R,2R)-2-{[(4-メトキシフェニル)メトキシ]メチル}シクロペンチル]-9,11,13,15-テトラメチル-18-オキソ-1-オキサシクロオクタデカ-4,6-ジエン-7-カルボニトリル
  • (2S,4E,6E,8R,9R,11R,13S,15S,16S)-16-[(tert-butyldimethylsilyl)oxy]-8-hydroxy-2-[(1R,2R)-2-{[(4-methoxyphenyl)methoxy]methyl}cyclopentyl]-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-diene-7-carbonitrile
Other name (1):
  • (2S,4E,6E)-2α-[(1R)-2α-(4-Methoxybenzyloxymethyl)cyclopentane-1β-yl]-8α-hydroxy-9α,11α,13α,15α-tetramethyl-16β-(tert-butyldimethylsiloxy)-18-oxooxacyclooctadeca-4,6-diene-7-carbonitrile
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