| SpectraBase Spectrum ID |
L524ADZA1VX |
| Name |
3.alpha.-(1-methyl-1H-pyrrol-2-ylcarbonyloxy)-6.beta.-(1H-pyrrol-2-ylcarbonyloxy)-7.beta.-hydroxytropane |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23N3O5 |
| InChI |
InChI=1S/C19H23N3O5/c1-21-8-4-6-13(21)19(25)26-11-9-14-16(23)17(15(10-11)22(14)2)27-18(24)12-5-3-7-20-12/h3-8,11,14-17,20,23H,9-10H2,1-2H3/t11-,14+,15-,16+,17-/m0/s1 |
| InChIKey |
RJIOYVYRNVCWLC-ULSVASMSSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020512m |
| Molecular Weight |
373.409 g/mol |
| Optical Rotation |
[a]D = -2.8 (c = 0.40, EtOH) |
| Reported Formula |
C19H23N3O5 |
| SMILES |
[nH]1cccc1C(O[C@]1([C@]2(N([C@@]([C@]1(O)[H])(C[C@@](C2)(OC(c1[n](ccc1)C)=O)[H])[H])C)[H])[H])=O |
| SPLASH |
splash10-0007-9300000000-22461538b05de275e8e1 |
| Source of Spectrum |
G4-66-501-2 |
| Synonyms |
7.beta.-Hydroxycatuabine D |
| Wiley ID |
1881350 |
