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Octanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-

View entire compound with spectra: 1 NMR

Octanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
SpectraBase Compound ID 6H1d6WFu7vZ
InChI InChI=1S/C30H54N2O4S/c1-4-5-6-13-18-26(31)28(33)36-27-21-23-19-20-30(27,29(23,2)3)22-37(34,35)32(24-14-9-7-10-15-24)25-16-11-8-12-17-25/h23-27H,4-22,31H2,1-3H3/t23-,26+,27-,30-/m0/s1
InChIKey MNACKOLWTHOYQB-FHYLVXSLSA-N
Mol Weight 538.8 g/mol
Molecular Formula C30H54N2O4S
Exact Mass 538.380429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ExZWAzXM4X
Name Octanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.380429397 u
Formula C30H54N2O4S
InChI InChI=1S/C30H54N2O4S/c1-4-5-6-13-18-26(31)28(33)36-27-21-23-19-20-30(27,29(23,2)3)22-37(34,35)32(24-14-9-7-10-15-24)25-16-11-8-12-17-25/h23-27H,4-22,31H2,1-3H3/t23-,26+,27-,30-/m0/s1
InChIKey MNACKOLWTHOYQB-FHYLVXSLSA-N
Molecular Weight 538.832 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@]([H])(CC2)C[C@@]1(OC(=O)[C@](N)(CCCCCC)[H])[H])(C)C