| SpectraBase Compound ID | pPGgGTnWwk |
|---|---|
| InChI | InChI=1S/C35H40N4O4/c1-23-10-5-3-2-4-6-15-38(20-23)16-9-17-39-21-26(32-24-11-7-13-36-28(24)18-30(40)34(32)42)27(22-39)33-25-12-8-14-37-29(25)19-31(41)35(33)43/h7-8,11-14,18-19,21-23,40-43H,2-6,9-10,15-17,20H2,1H3/t23-/m0/s1 |
| InChIKey | LGDWVQUZDQKWEQ-QHCPKHFHSA-N |
| Mol Weight | 580.7 g/mol |
| Molecular Formula | C35H40N4O4 |
| Exact Mass | 580.304956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjPCS9sAXBl |
|---|---|
| Name | ISOHALITULIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40N4O4 |
| InChI | InChI=1S/C35H40N4O4/c1-23-10-5-3-2-4-6-15-38(20-23)16-9-17-39-21-26(32-24-11-7-13-36-28(24)18-30(40)34(32)42)27(22-39)33-25-12-8-14-37-29(25)19-31(41)35(33)43/h7-8,11-14,18-19,21-23,40-43H,2-6,9-10,15-17,20H2,1H3/t23-/m0/s1 |
| InChIKey | LGDWVQUZDQKWEQ-QHCPKHFHSA-N |
| Literature Reference Author | H.SOREK,A.RUDI,M.AKNIN,E.M.GAYDOU,Y.KASHMAN |
| Literature Reference Citation | J.NAT.PROD.,73,456(2010) |
| Literature Reference DOI | 10.1021/np900500c |
| Molecular Weight | 580.727 g/mol |
| Sample ID | 35110 |
| Solvent | CDCl3:CD3OD=4:1 |