| SpectraBase Compound ID | JjVaAoSM2ql |
|---|---|
| InChI | InChI=1S/C31H48O7/c1-18(17-36-20(3)33)7-10-28(35)38-27-16-26-24-9-8-22-15-23(37-21(4)34)11-13-30(22,5)25(24)12-14-31(26,6)29(27)19(2)32/h18,22-27,29H,7-17H2,1-6H3/t18-,22?,23+,24-,25+,26+,27+,29+,30+,31+/m1/s1 |
| InChIKey | ZYGCAIJEOOKHNO-QTJRYPKOSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C31H48O7 |
| Exact Mass | 532.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lMNKz88LlW |
|---|---|
| Name | TIGONE-DIACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O7 |
| InChI | InChI=1S/C31H48O7/c1-18(17-36-20(3)33)7-10-28(35)38-27-16-26-24-9-8-22-15-23(37-21(4)34)11-13-30(22,5)25(24)12-14-31(26,6)29(27)19(2)32/h18,22-27,29H,7-17H2,1-6H3/t18-,22?,23+,24-,25+,26+,27+,29+,30+,31+/m1/s1 |
| InChIKey | ZYGCAIJEOOKHNO-QTJRYPKOSA-N |
| Literature Reference Author | J.L.GINER,J.A.FARALDOS |
| Literature Reference Citation | J.ORG.CHEM.,67,2717(2002) |
| Literature Reference DOI | 10.1021/jo011111z |
| Molecular Weight | 532.718 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24015 |