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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C31H36N2O6
Canonical SMILES: O=C(N[C@@H](C(=O)O)CCCCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
InChI: InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,32H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m1/s1
InChIKey: ZPSRBXWVBNVFTO-RUZDIDTESA-N
Exact Mass:
Crosslinks: 
Published on 2024-11-08
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: 
Sylvia Vanderheiden-Schroen1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets