| SpectraBase Spectrum ID |
AXrK678cnBG |
| Name |
3.alpha.-(4-hydroxy-3,5-dimethoxy-benzoyloxy)-6.beta.-(1-methyl-1H-pyrrol-2-ylcarbonyloxy)-7.beta.-hydroxytropane |
| Alternate Name(s) |
7.beta.-Hydroxycatuabine F |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H28N2O8 |
| InChI |
InChI=1S/C23H28N2O8/c1-24-7-5-6-14(24)23(29)33-21-16-11-13(10-15(19(21)26)25(16)2)32-22(28)12-8-17(30-3)20(27)18(9-12)31-4/h5-9,13,15-16,19,21,26-27H,10-11H2,1-4H3/t13-,15+,16-,19+,21-/m0/s1 |
| InChIKey |
MDUGELVVSRAARE-IVTRKKJRSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020512m |
| Molecular Weight |
460.483 g/mol |
| Optical Rotation |
[a]D = -2.6 (c = 0.44, EtOH) |
| Reported Formula |
C23H28N2O8 |
| SMILES |
Oc1c(cc(C(O[C@@]2(C[C@@]3(N([C@@]([C@]([C@]3(OC(c3[n](ccc3)C)=O)[H])(O)[H])(C2)[H])C)[H])[H])=O)cc1OC)OC |
| SPLASH |
splash10-000f-8900000000-0ffd0c941531a3ac488b |
| Source of Spectrum |
G4-66-502-7 |
| Wiley ID |
1881353 |
