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(1''R*,7''S*,8''S*,3'R* / 3'S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-(3''-Methyl-2'',5''-dioxopyrrolidin-1''-yl)benzoate
SpectraBase Compound ID HGSKCtniR2L
InChI InChI=1S/C27H34N2O5/c1-3-28-16-26-11-6-7-14-33-25(26)27(17-28,13-8-12-26)18-34-24(32)20-9-4-5-10-21(20)29-22(30)15-19(2)23(29)31/h4-7,9-10,19,25H,3,8,11-18H2,1-2H3/t19?,25-,26-,27-/m0/s1
InChIKey XOBUYERVNPLGDB-ULHKIRMCSA-N
Mol Weight 466.6 g/mol
Molecular Formula C27H34N2O5
Exact Mass 466.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gSswRcD4wp
Name (1''R*,7''S*,8''S*,3'R* / 3'S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-(3''-Methyl-2'',5''-dioxopyrrolidin-1''-yl)benzoate
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Formula C27H34N2O5
InChI InChI=1S/C27H34N2O5/c1-3-28-16-26-11-6-7-14-33-25(26)27(17-28,13-8-12-26)18-34-24(32)20-9-4-5-10-21(20)29-22(30)15-19(2)23(29)31/h4-7,9-10,19,25H,3,8,11-18H2,1-2H3/t19?,25-,26-,27-/m0/s1
InChIKey XOBUYERVNPLGDB-ULHKIRMCSA-N
Molecular Weight 466.578 g/mol
SMILES C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23[C@@]4([C@@](CC=CCO4)(CCC3)CN(C2)CC)[H])=O)cccc1)=O
SPLASH splash10-00di-9020200000-1236f67ab3ae689c64b3
Source of Spectrum F5-2-1666-18
Synonyms (1R*,7S*,8S*,3''R* / 3''S*)-[10-Ethyl-6-oxa-10-azatricyclo[6.3.3.0(1,7)]tetradec-3-en-8-yl]-methyl - 2'-(3''-Methyl-2'',5''-dioxopyrrolidin-1''-yl)benzoate ((5aR,9S,9aS)-11-ethyl-5,6,7,8,9,9a-hexahydro-2H-5a,9-(methanoiminomethano)benzo[b]oxepin-9-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Wiley ID 1731889