| SpectraBase Compound ID | 7GMWST2foFX |
|---|---|
| InChI | InChI=1S/C32H33N3O12/c1-18-10-15-24-28(45-24)30(47-31(33)37)29(46-26(36)9-4-3-7-22-19(2)42-25(17-18)34-22)27-23(44-27)8-5-6-16-41-32(38)43-21-13-11-20(12-14-21)35(39)40/h3-5,7-9,11-14,17,23-24,27-30H,6,10,15-16H2,1-2H3,(H2,33,37)/b7-3+,8-5+,9-4-,18-17-/t23-,24+,27-,28-,29-,30+/m0/s1 |
| InChIKey | QXWMYYWHFKDXKI-BODQBSMSSA-N |
| Mol Weight | 651.6 g/mol |
| Molecular Formula | C32H33N3O12 |
| Exact Mass | 651.206424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vgIwKlNVo |
|---|---|
| Name | QXWMYYWHFKDXKI-BODQBSMSSA-N |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H33N3O12 |
| InChI | InChI=1S/C32H33N3O12/c1-18-10-15-24-28(45-24)30(47-31(33)37)29(46-26(36)9-4-3-7-22-19(2)42-25(17-18)34-22)27-23(44-27)8-5-6-16-41-32(38)43-21-13-11-20(12-14-21)35(39)40/h3-5,7-9,11-14,17,23-24,27-30H,6,10,15-16H2,1-2H3,(H2,33,37)/b7-3+,8-5+,9-4-,18-17-/t23-,24+,27-,28-,29-,30+/m0/s1 |
| InChIKey | QXWMYYWHFKDXKI-BODQBSMSSA-N |
| Literature Reference Author | L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN |
| Literature Reference Citation | MAR.DRUGS,11,4487(2013) |
| Literature Reference DOI | 10.3390/md11114487 |
| Molecular Weight | 651.627 g/mol |
| Source File Reference | UWBT6623 |