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(3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-((triisopropylsilyl)oxy)butyl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylic acid Benzyl ester

View entire compound with spectra: 1 MS (GC)

(3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-((triisopropylsilyl)oxy)butyl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylic acid Benzyl ester
SpectraBase Compound ID HQSy92ipTE3
InChI InChI=1S/C33H54N2O4Si/c1-24(2)40(25(3)4,26(5)6)39-21-13-12-16-28-17-18-29(22-31(36)34(7)8)30-19-20-35(32(28)30)33(37)38-23-27-14-10-9-11-15-27/h9-11,14-15,18,24-26,28,30,32H,12-13,16-17,19-23H2,1-8H3/t28-,30-,32+/m1/s1
InChIKey JMCUFCWMNOBQHY-MZMVFCBMSA-N
Mol Weight 570.9 g/mol
Molecular Formula C33H54N2O4Si
Exact Mass 570.385285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BifklPwOJ2B
Name (3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-((triisopropylsilyl)oxy)butyl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylic acid Benzyl ester
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Formula C33H54N2O4Si
InChI InChI=1S/C33H54N2O4Si/c1-24(2)40(25(3)4,26(5)6)39-21-13-12-16-28-17-18-29(22-31(36)34(7)8)30-19-20-35(32(28)30)33(37)38-23-27-14-10-9-11-15-27/h9-11,14-15,18,24-26,28,30,32H,12-13,16-17,19-23H2,1-8H3/t28-,30-,32+/m1/s1
InChIKey JMCUFCWMNOBQHY-MZMVFCBMSA-N
Molecular Weight 570.890 g/mol
SMILES C(N1[C@@]2([C@](C(CC(N(C)C)=O)=CC[C@]2(CCCCO[Si](C(C)C)(C(C)C)C(C)C)[H])([H])CC1)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9003130000-0443fc8e40b2abfe2ff6
Source of Spectrum C-117-11111-19
Synonyms benzyl (3aR,7R,7aS)-4-[2-(dimethylamino)-2-oxoethyl]-7-{4-[(triisopropylsilyl)oxy]butyl}-2,3,3a,6,7,7a-hexahydro-1H-indole-1-carboxylate
Wiley ID 759363