| SpectraBase Compound ID | KmuDQ49JnAY |
|---|---|
| InChI | InChI=1S/C33H40N2O11/c1-39-19-7-8-21-22(14-19)34-32(38)33(21)9-10-35-16-18-13-25(29(43-5)27(31(37)44-6)20(18)15-26(35)46-33)45-30(36)17-11-23(40-2)28(42-4)24(12-17)41-3/h7-8,11-12,14,18,20,25-27,29H,9-10,13,15-16H2,1-6H3,(H,34,38)/t18?,20?,25-,26?,27-,29+,33+/m0/s1 |
| InChIKey | LCGSFPHZIMPWFS-CWQIRPGJSA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C33H40N2O11 |
| Exact Mass | 640.26321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ev1U61pCe6l |
|---|---|
| Name | DIOXYRESERPINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40N2O11 |
| InChI | InChI=1S/C33H40N2O11/c1-39-19-7-8-21-22(14-19)34-32(38)33(21)9-10-35-16-18-13-25(29(43-5)27(31(37)44-6)20(18)15-26(35)46-33)45-30(36)17-11-23(40-2)28(42-4)24(12-17)41-3/h7-8,11-12,14,18,20,25-27,29H,9-10,13,15-16H2,1-6H3,(H,34,38)/t18?,20?,25-,26?,27-,29+,33+/m0/s1 |
| InChIKey | LCGSFPHZIMPWFS-CWQIRPGJSA-N |
| Literature Reference Author | D.V.C.AWANG,B.A.DAWSON,M.GIRARD,A.VINCENT |
| Literature Reference Citation | J.ORG.CHEM.,55,4443(1990) |
| Literature Reference DOI | 10.1021/jo00301a043 |
| Molecular Weight | 640.687 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED15575 |