| SpectraBase Spectrum ID |
1PQG81OGEC |
| Name |
3.alpha.,6.beta.-di(1-methyl-1H-pyrrol-2-ylcarbonyloxy)tropane |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25N3O4 |
| InChI |
InChI=1S/C20H25N3O4/c1-21-8-4-6-15(21)19(24)26-14-10-13-11-18(17(12-14)23(13)3)27-20(25)16-7-5-9-22(16)2/h4-9,13-14,17-18H,10-12H2,1-3H3/t13-,14+,17+,18-/m1/s1 |
| InChIKey |
VLUBVMQZRACLJZ-IDCJVQTKSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020512m |
| Molecular Weight |
371.437 g/mol |
| Optical Rotation |
[a]D = -35.4 (c = 0.57, EtOH) |
| Reported Formula |
C20H25N3O4 |
| SMILES |
[C@@]12(C[C@]([C@@](N2C)(C[C@](C1)(OC(c1[n](ccc1)C)=O)[H])[H])(OC(c1[n](ccc1)C)=O)[H])[H] |
| SPLASH |
splash10-0005-9421000000-849bbf276e8045c9cdaa |
| Source of Spectrum |
G4-66-501-3 |
| Synonyms |
Catuabine E |
| Wiley ID |
1881351 |
