| SpectraBase Compound ID | HUMP08gtdWf |
|---|---|
| InChI | InChI=1S/C34H45NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-14,20-29,37,39H,7,15-17H2,1-6H3/t20?,21-,22?,23-,24-,25?,26?,27?,28+,29-,31-,32+,33-,34+/m0/s1 |
| InChIKey | ODNSFUMREKLILI-FPEIJSOFSA-N |
| Mol Weight | 627.7 g/mol |
| Molecular Formula | C34H45NO10 |
| Exact Mass | 627.304347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KHfmZAyOap |
|---|---|
| Name | ANHYDROACONITINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H45NO10 |
| InChI | InChI=1S/C34H45NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-14,20-29,37,39H,7,15-17H2,1-6H3/t20?,21-,22?,23-,24-,25?,26?,27?,28+,29-,31-,32+,33-,34+/m0/s1 |
| InChIKey | ODNSFUMREKLILI-FPEIJSOFSA-N |
| Literature Reference Author | S.W.PELLETIER,Z.DJARMATI |
| Literature Reference Citation | J.AM.CHEM.SOC.,98,2626(1976) |
| Literature Reference DOI | 10.1021/ja00425a036 |
| Molecular Weight | 627.732 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20885 |