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(E)-(1''S,3a''R,7a''S)-tert-Butyl 3-[1'-benzyl-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-1',2',5',6'-tetrahydropyridine-3'-yl]acrylate

View entire compound with spectra: 2 MS (GC)

(E)-(1''S,3a''R,7a''S)-tert-Butyl 3-[1'-benzyl-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-1',2',5',6'-tetrahydropyridine-3'-yl]acrylate
SpectraBase Compound ID 2j2EDD1ExY8
InChI InChI=1S/C33H47NO3/c1-31(2,3)36-29-15-14-27-21-25(17-19-33(27,29)7)28-18-20-34(22-24-11-9-8-10-12-24)23-26(28)13-16-30(35)37-32(4,5)6/h8-13,16,21,27,29H,14-15,17-20,22-23H2,1-7H3/b16-13+/t27-,29+,33+/m1/s1
InChIKey CHUKVZBDZPMIQS-MQPVVAHCSA-N
Mol Weight 505.7 g/mol
Molecular Formula C33H47NO3
Exact Mass 505.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MWMhzc596H
Name (E)-(1''S,3a''R,7a''S)-tert-Butyl 3-[1'-benzyl-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-1',2',5',6'-tetrahydropyridine-3'-yl]acrylate
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Formula C33H47NO3
InChI InChI=1S/C33H47NO3/c1-31(2,3)36-29-15-14-27-21-25(17-19-33(27,29)7)28-18-20-34(22-24-11-9-8-10-12-24)23-26(28)13-16-30(35)37-32(4,5)6/h8-13,16,21,27,29H,14-15,17-20,22-23H2,1-7H3/b16-13+/t27-,29+,33+/m1/s1
InChIKey CHUKVZBDZPMIQS-MQPVVAHCSA-N
Molecular Weight 505.743 g/mol
SMILES C1(C2=C[C@]3(CC[C@@]([C@]3(CC2)C)(OC(C)(C)C)[H])[H])=C(\C=C\C(OC(C)(C)C)=O)CN(CC1)Cc1ccccc1
SPLASH splash10-052g-7012940000-c096ddcfdff0ae086ce6
Source of Spectrum QE-12-8341-5
Synonyms tert-Butyl (2E)-3-{4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]-1-benzyl-1,2,5,6-tetrahydro-3-pyridinyl}-2-propenoate
Wiley ID 1587342