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(1"R*,7"S*,3'R*)-and (1"R*,7"S*,3'S*)-(9-Ethyl-4-methoxy-9-azabicyclo[5.3.3.0(1,6)]tridec-5-en-7-yl)methyl 2-(3-methyl-2,5-dioxopyrrolodin-1-yl)benzoate
SpectraBase Compound ID GDeci5k0ZFS
InChI InChI=1S/C28H36N2O5/c1-4-29-16-27-11-7-12-28(17-29,23(27)15-20(34-3)10-13-27)18-35-26(33)21-8-5-6-9-22(21)30-24(31)14-19(2)25(30)32/h5-6,8-9,15,19-20H,4,7,10-14,16-18H2,1-3H3/t19-,20?,27+,28+/m1/s1
InChIKey OLAQEXBUCQQYJS-ZMZJGXKASA-N
Mol Weight 480.6 g/mol
Molecular Formula C28H36N2O5
Exact Mass 480.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZBpXcxHLCr
Name (1"R*,7"S*,3'R*)-and (1"R*,7"S*,3'S*)-(9-Ethyl-4-methoxy-9-azabicyclo[5.3.3.0(1,6)]tridec-5-en-7-yl)methyl 2-(3-methyl-2,5-dioxopyrrolodin-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O5
InChI InChI=1S/C28H36N2O5/c1-4-29-16-27-11-7-12-28(17-29,23(27)15-20(34-3)10-13-27)18-35-26(33)21-8-5-6-9-22(21)30-24(31)14-19(2)25(30)32/h5-6,8-9,15,19-20H,4,7,10-14,16-18H2,1-3H3/t19-,20?,27+,28+/m1/s1
InChIKey OLAQEXBUCQQYJS-ZMZJGXKASA-N
Molecular Weight 480.605 g/mol
SMILES C1(N(C([C@@](C1)(C)[H])=O)c1c(C(OC[C@@]23C=4[C@](CCC(C4)OC)(CCC3)CN(C2)CC)=O)cccc1)=O
SPLASH splash10-022a-7090500000-ce1ed7173b6a238de530
Source of Spectrum K-2002-930-18
Wiley ID 1581148