| SpectraBase Compound ID | J8VENWcnF7p |
|---|---|
| InChI | InChI=1S/C38H42N2O10/c1-21(2)18-29(42)39-28-12-9-17-40(28)35(43)32-30(23-10-7-6-8-11-23)38(24-13-15-25(45-4)16-14-24)36(49-22(3)41)37(32,44)31-26(50-38)19-27-33(34(31)46-5)48-20-47-27/h6-8,10-11,13-16,19,21,28,30,32,36,44H,9,12,17-18,20H2,1-5H3,(H,39,42)/t28?,30-,32+,36?,37+,38+/m1/s1 |
| InChIKey | CKBNTTYCPYJUBL-WMIYUEEGSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C38H42N2O10 |
| Exact Mass | 686.283946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUrVjHrns13 |
|---|---|
| Name | EDULIRIN_A_10-O-ACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H42N2O10 |
| InChI | InChI=1S/C38H42N2O10/c1-21(2)18-29(42)39-28-12-9-17-40(28)35(43)32-30(23-10-7-6-8-11-23)38(24-13-15-25(45-4)16-14-24)36(49-22(3)41)37(32,44)31-26(50-38)19-27-33(34(31)46-5)48-20-47-27/h6-8,10-11,13-16,19,21,28,30,32,36,44H,9,12,17-18,20H2,1-5H3,(H,39,42)/t28?,30-,32+,36?,37+,38+/m1/s1 |
| InChIKey | CKBNTTYCPYJUBL-WMIYUEEGSA-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 | 686.759 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ17665 |