| SpectraBase Compound ID | 6zN7OMIlVU |
|---|---|
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)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-/m1/s1 |
| InChIKey | XFSBVAOIAHNAPC-JLTGDOEZSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C34H47NO11 |
| Exact Mass | 645.314911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4pHweEI1kWN |
|---|---|
| Name | ACONITINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47NO11 |
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)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-/m1/s1 |
| InChIKey | XFSBVAOIAHNAPC-JLTGDOEZSA-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 | 645.747 g/mol |
| Sample ID | 1095 |
| Solvent | CDCl3 |