| SpectraBase Compound ID | B0aCJvqiFjs |
|---|---|
| InChI | InChI=1S/C34H47NO12/c1-7-35(41)15-31(16-42-3)20(37)13-21(43-4)33-19-14-32(40)28(46-30(39)18-11-9-8-10-12-18)22(19)34(47-17(2)36,27(38)29(32)45-6)23(26(33)35)24(44-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23?,24+,25-,26?,27?,28-,29+,31+,32-,33+,34-,35?/m1/s1 |
| InChIKey | ZNHYUXQGCMULHB-QFNDLKJDSA-N |
| Mol Weight | 661.7 g/mol |
| Molecular Formula | C34H47NO12 |
| Exact Mass | 661.309826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HbS96wtlDt |
|---|---|
| Name | ACONITINE-N-OXIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47NO12 |
| InChI | InChI=1S/C34H47NO12/c1-7-35(41)15-31(16-42-3)20(37)13-21(43-4)33-19-14-32(40)28(46-30(39)18-11-9-8-10-12-18)22(19)34(47-17(2)36,27(38)29(32)45-6)23(26(33)35)24(44-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23?,24+,25-,26?,27?,28-,29+,31+,32-,33+,34-,35?/m1/s1 |
| InChIKey | ZNHYUXQGCMULHB-QFNDLKJDSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,58,929(1995) |
| Literature Reference DOI | 10.1021/np50120a018 |
| Molecular Weight | 661.747 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP6486 |