| SpectraBase Compound ID | 7EiWn1C7EzV |
|---|---|
| InChI | InChI=1S/C32H40O10/c1-8-16(2)25(35)42-28-29(3,4)23(22(34)26(36)39-7)31(6)19-9-11-30(5)20(18(19)14-32(28,38)27(31)37)13-21(33)41-24(30)17-10-12-40-15-17/h8,10,12,15,19,22-24,28,34,38H,9,11,13-14H2,1-7H3/b16-8+/t19-,22-,23-,24-,28-,30+,31+,32-/m0/s1 |
| InChIKey | BEPQSACHIBDHIF-RTCQMBKLSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C32H40O10 |
| Exact Mass | 584.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdieaHn7i6y |
|---|---|
| Name | 2-HYDROXY-3-O-TIGLOYL-SWIETENOLIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O10 |
| InChI | InChI=1S/C32H40O10/c1-8-16(2)25(35)42-28-29(3,4)23(22(34)26(36)39-7)31(6)19-9-11-30(5)20(18(19)14-32(28,38)27(31)37)13-21(33)41-24(30)17-10-12-40-15-17/h8,10,12,15,19,22-24,28,34,38H,9,11,13-14H2,1-7H3/b16-8+/t19-,22-,23-,24-,28-,30+,31+,32-/m0/s1 |
| InChIKey | BEPQSACHIBDHIF-RTCQMBKLSA-N |
| Literature Reference Author | S.A.M.ABDELGALEIL,M.DOE,Y.MORIMOTO,M.NAKATANI |
| Literature Reference Citation | PHYTOCHEM.,67,452(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.020 |
| Molecular Weight | 584.664 g/mol |
| Sample ID | 66065 |
| Solvent | CDCl3 |