| SpectraBase Compound ID | 5KsBxssQDTP |
|---|---|
| InChI | InChI=1S/C34H47NO10/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/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23-,24+,25-,26+,27+,28+,29+,31-,32-,33+,34-/m1/s1 |
| InChIKey | PHASMOUKYDUAOZ-AYXNSDOOSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C34H47NO10 |
| Exact Mass | 629.319997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEIAkxDs3Pa |
|---|---|
| Name | DEOXY-ACONITINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47NO10 |
| InChI | InChI=1S/C34H47NO10/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/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23-,24+,25-,26+,27+,28+,29+,31-,32-,33+,34-/m1/s1 |
| InChIKey | PHASMOUKYDUAOZ-AYXNSDOOSA-N |
| Literature Reference Author | F.GAO,Y.Y.LI,D.WANG,X.HUANG,Q.LIU |
| Literature Reference Citation | MOLECULES,17,5187(2012) |
| Literature Reference DOI | 10.3390/molecules17055187 |
| Molecular Weight | 629.748 g/mol |
| Sample ID | 1099 |
| Solvent | CDCl3 |