| SpectraBase Compound ID | GzY55qKyABf |
|---|---|
| InChI | InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/t19?,20-,21?,22-,23-,24?,25?,26?,27+,28-,30-,31+,32-,33+/m0/s1 |
| InChIKey | WXQMJWAPTHUPHW-OSIMJYSGSA-N |
| Mol Weight | 601.7 g/mol |
| Molecular Formula | C33H47NO9 |
| Exact Mass | 601.325082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPAHCUYV3le |
|---|---|
| Name | 8-DEACETYL-3-DEOXY-8-O-METHYLACONITINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H47NO9 |
| InChI | InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/t19?,20-,21?,22-,23-,24?,25?,26?,27+,28-,30-,31+,32-,33+/m0/s1 |
| InChIKey | WXQMJWAPTHUPHW-OSIMJYSGSA-N |
| Literature Reference Author | H.K.DESAI,B.S.JOSHI,S.A.ROSS,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,52,720(1989) |
| Literature Reference DOI | 10.1021/np50064a009 |
| Molecular Weight | 601.737 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS152 |