| SpectraBase Compound ID | 2Aigku42ljQ |
|---|---|
| InChI | InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19+,21+,22-,24-,27+,28-,29+/m0/s1 |
| InChIKey | YWLXLRUDGLRYDR-LUPIKGFISA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C29H36O10 |
| Exact Mass | 544.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8B143LdJVR0 |
|---|---|
| Name | 7-EPI-10-DEACETYLBACCATIN-3;10-DEACETYLBACCATIN-5 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O10 |
| InChI | InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19+,21+,22-,24-,27+,28-,29+/m0/s1 |
| InChIKey | YWLXLRUDGLRYDR-LUPIKGFISA-N |
| Literature Reference Author | L.O.ZAMIR,M.E.NEDEA,Z.H.ZHOU,S.BELAIR,G.CARON,F.SAURIOL,E.JA CQMAIN,F.I.JEAN,F.X. |
| Literature Reference Citation | CAN.J.CHEM.,73,655(1995) |
| Literature Reference DOI | 10.1139/v95-084 |
| Molecular Weight | 544.599 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15856 |