| SpectraBase Spectrum ID |
7fV2ITdxIvk |
| Name |
3.alpha.-(4-hydroxy-3,5-dimethoxybenzoyloxy)-6.beta.-(1-methyl-1H-pyrrol-2-ylcarbonyloxy)tropane |
| Alternate Name(s) |
Catuabine F |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H28N2O7 |
| InChI |
InChI=1S/C23H28N2O7/c1-24-7-5-6-16(24)23(28)32-18-11-14-10-15(12-17(18)25(14)2)31-22(27)13-8-19(29-3)21(26)20(9-13)30-4/h5-9,14-15,17-18,26H,10-12H2,1-4H3/t14-,15+,17+,18-/m1/s1 |
| InChIKey |
FDOGTDAJEOKOQD-MXSMSXNCSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020512m |
| Molecular Weight |
444.484 g/mol |
| Optical Rotation |
[a]D = -32.8 (c = 0.46, EtOH) |
| Reported Formula |
C23H28N2O7 |
| SMILES |
Oc1c(cc(C(O[C@@]2(C[C@]3([C@@](C[C@](N3C)(C2)[H])(OC(c2[n](ccc2)C)=O)[H])[H])[H])=O)cc1OC)OC |
| SPLASH |
splash10-0006-9610000000-0bb71b6a3362aa2fcbb8 |
| Source of Spectrum |
G4-66-502-6 |
| Wiley ID |
1881352 |
