SpectraBase Compound ID | 7ykwkAYfplR |
---|---|
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+/m0/s1 |
InChIKey | PHASMOUKYDUAOZ-UTRICIMPSA-N |
Mol Weight | 629.7 g/mol |
Molecular Formula | C34H47NO10 |
Exact Mass | 629.319997 g/mol |
SpectraBase Spectrum ID | BGhCa4EGGZU |
---|---|
Name | 3-DEOXY-ACONITINE |
Compound Number | 2 |
Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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+/m0/s1 |
InChIKey | PHASMOUKYDUAOZ-UTRICIMPSA-N |
Literature Reference | A.LAO,Y.WANG,H.WANG HETEROCYCLES,43,1267(1996) |
Solvent | Chloroform-d |
Technique | SELECTIVE DECOUPLING |