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(E)-(1''S,3a''S,7a''S)-tert-Butyl 5'-(2-tert-butoxycarbonylethenyl)-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-3',6'-dihydro-2'H-pyridine-1'-carboxylate
SpectraBase Compound ID AT9z012YuZQ
InChI InChI=1S/C31H49NO5/c1-28(2,3)35-25-13-12-23-19-21(15-17-31(23,25)10)24-16-18-32(27(34)37-30(7,8)9)20-22(24)11-14-26(33)36-29(4,5)6/h11,14,19,23,25H,12-13,15-18,20H2,1-10H3/b14-11+/t23-,25-,31-/m0/s1
InChIKey HTRMHEBKNMHWCI-BFGXPFNDSA-N
Mol Weight 515.7 g/mol
Molecular Formula C31H49NO5
Exact Mass 515.361074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HauHHP8bymM
Name (E)-(1''S,3a''S,7a''S)-tert-Butyl 5'-(2-tert-butoxycarbonylethenyl)-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-3',6'-dihydro-2'H-pyridine-1'-carboxylate
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Formula C31H49NO5
InChI InChI=1S/C31H49NO5/c1-28(2,3)35-25-13-12-23-19-21(15-17-31(23,25)10)24-16-18-32(27(34)37-30(7,8)9)20-22(24)11-14-26(33)36-29(4,5)6/h11,14,19,23,25H,12-13,15-18,20H2,1-10H3/b14-11+/t23-,25-,31-/m0/s1
InChIKey HTRMHEBKNMHWCI-BFGXPFNDSA-N
Molecular Weight 515.735 g/mol
SMILES C(N1CC(\C=C\C(OC(C)(C)C)=O)=C(CC1)C1=C[C@@]2(CC[C@@]([C@]2(CC1)C)(OC(C)(C)C)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0pbc-4069400000-500e6161ddabe3e7f106
Source of Spectrum QE-12-8339-5
Synonyms tert-Butyl 4-[(1S,3aS,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]-5-[(1E)-3-tert-butoxy-3-oxo-1-propenyl]-3,6-dihydro-1(2H)-pyridinecarboxylate
Wiley ID 1587344