| SpectraBase Compound ID | KLGcTrF5rVW |
|---|---|
| InChI | InChI=1S/2C21H30O7/c2*1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h2*7,12-14,16,18,20,23H,8-9H2,1-6H3/b2*10-7+/t2*12-,13-,14-,16+,18?,20-,21+/m00/s1 |
| InChIKey | OSPZBDYPQSVMDD-TZHSCZDHSA-N |
| Mol Weight | 788.93 g/mol |
| Molecular Formula | C42H60O14 |
| Exact Mass | 788.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16d7AVqm6Ht |
|---|---|
| Name | SECOEREMPETASITOLIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H60O14 |
| InChI | InChI=1S/2C21H30O7/c2*1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h2*7,12-14,16,18,20,23H,8-9H2,1-6H3/b2*10-7+/t2*12-,13-,14-,16+,18?,20-,21+/m00/s1 |
| InChIKey | OSPZBDYPQSVMDD-TZHSCZDHSA-N |
| Literature Reference Author | Y.YAOITA,M.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,42,751(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00939-6 |
| Molecular Weight | 788.930 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3570 |