| SpectraBase Compound ID | B6JlPMGCX4p |
|---|---|
| InChI | InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,28(44-5)26(33)38)27(21)45-29(39)17-9-7-6-8-10-17)32-20(42-3)11-19(37)30(14-41-2)13-34(15-35)25(32)22(33)23(43-4)24(30)32/h6-10,15,18-28,37-38,40H,11-14H2,1-5H3/t18-,19-,20+,21-,22-,23+,24-,25+,26+,27+,28+,30-,31-,32+,33-/m1/s1 |
| InChIKey | SVQZFPSKTHNMRD-NLDJUOELSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C33H43NO12 |
| Exact Mass | 645.278526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzpXoK7y4sP |
|---|---|
| Name | OXONITINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43NO12 |
| InChI | InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,28(44-5)26(33)38)27(21)45-29(39)17-9-7-6-8-10-17)32-20(42-3)11-19(37)30(14-41-2)13-34(15-35)25(32)22(33)23(43-4)24(30)32/h6-10,15,18-28,37-38,40H,11-14H2,1-5H3/t18-,19-,20+,21-,22-,23+,24-,25+,26+,27+,28+,30-,31-,32+,33-/m1/s1 |
| InChIKey | SVQZFPSKTHNMRD-NLDJUOELSA-N |
| Literature Reference Author | F.GAO,Y.Y.LI,D.WANG,X.HUANG,Q.LIU |
| Literature Reference Citation | MOLECULES,17,5187(2012) |
| Literature Reference DOI | 10.3390/molecules17055187 |
| Molecular Weight | 645.704 g/mol |
| Sample ID | 1098 |
| Solvent | CDCl3 |