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(2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-((triisopropylsilyl)oxy)butyl)-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
SpectraBase Compound ID Jo1oxbjyTk3
InChI InChI=1S/C35H56N2O6Si/c1-24(2)44(25(3)4,26(5)6)43-20-14-13-17-28-18-19-29(21-32(38)36(7)8)30-22-31(34(39)41-9)37(33(28)30)35(40)42-23-27-15-11-10-12-16-27/h10-12,15-16,19,24-26,28,30-31,33H,13-14,17-18,20-23H2,1-9H3/t28-,30-,31+,33+/m1/s1
InChIKey CAPPSRNLVDCIQC-CMRUAMDZSA-N
Mol Weight 628.9 g/mol
Molecular Formula C35H56N2O6Si
Exact Mass 628.390764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hhmh52NDh2t
Name (2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-((triisopropylsilyl)oxy)butyl)-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
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Formula C35H56N2O6Si
InChI InChI=1S/C35H56N2O6Si/c1-24(2)44(25(3)4,26(5)6)43-20-14-13-17-28-18-19-29(21-32(38)36(7)8)30-22-31(34(39)41-9)37(33(28)30)35(40)42-23-27-15-11-10-12-16-27/h10-12,15-16,19,24-26,28,30-31,33H,13-14,17-18,20-23H2,1-9H3/t28-,30-,31+,33+/m1/s1
InChIKey CAPPSRNLVDCIQC-CMRUAMDZSA-N
Molecular Weight 628.926 g/mol
SMILES [C@@]12(N([C@@](C[C@@]2(C(CC(N(C)C)=O)=CC[C@]1(CCCCO[Si](C(C)C)(C(C)C)C(C)C)[H])[H])(C(=O)OC)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9010310000-9b7a7b2a92a36d5ad79c
Source of Spectrum C-117-11110-18
Synonyms 1-Benzyl 2-methyl (2S,3aR,7R,7aS)-4-[2-(dimethylamino)-2-oxoethyl]-7-{4-[(triisopropylsilyl)oxy]butyl}-2,3,3a,6,7,7a-hexahydro-1H-indole-1,2-dicarboxylate
Wiley ID 759364