| SpectraBase Compound ID | GMssI4nchaL |
|---|---|
| InChI | InChI=1S/C37H38N2O10/c1-21(2)18-28(40)38-27-12-9-17-39(27)35(42)30-31(22-10-7-6-8-11-22)37(36(43)46-5,23-13-15-24(44-3)16-14-23)49-25-19-26-33(48-20-47-26)34(45-4)29(25)32(30)41/h6-8,10-11,13-16,18-19,27,30-31H,9,12,17,20H2,1-5H3,(H,38,40)/t27-,30-,31-,37+/m1/s1 |
| InChIKey | LBTBAFBRJMLHSK-RJOONWIBSA-N |
| Mol Weight | 670.7 g/mol |
| Molecular Formula | C37H38N2O10 |
| Exact Mass | 670.252645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMXTcPqPzyJ |
|---|---|
| Name | 19,20-DEHYDROEDULISONE_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N2O10 |
| InChI | InChI=1S/C37H38N2O10/c1-21(2)18-28(40)38-27-12-9-17-39(27)35(42)30-31(22-10-7-6-8-11-22)37(36(43)46-5,23-13-15-24(44-3)16-14-23)49-25-19-26-33(48-20-47-26)34(45-4)29(25)32(30)41/h6-8,10-11,13-16,18-19,27,30-31H,9,12,17,20H2,1-5H3,(H,38,40)/t27-,30-,31-,37+/m1/s1 |
| InChIKey | LBTBAFBRJMLHSK-RJOONWIBSA-N |
| Literature Reference Author | S.KIM,Y.W.CHIN,B.N.SU,S.RISWAN,L.B.S.KARDONO,J.J.AFRIASTINI, H.CHAI,N.R.FARNSWORT |
| Literature Reference Citation | J.NAT.PROD.,69,1769(2006) |
| Literature Reference DOI | 10.1021/np060428x |
| Molecular Weight | 670.716 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17663 |