| SpectraBase Spectrum ID |
OIRMhAEVK7 |
| Name |
3.alpha.-(3-hydroxyphenylacetoxy)-6.beta.,7.beta.-di-hydroxytropane |
| Alternate Name(s) |
Catuabine G |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO5 |
| InChI |
InChI=1S/C16H21NO5/c1-17-12-7-11(8-13(17)16(21)15(12)20)22-14(19)6-9-3-2-4-10(18)5-9/h2-5,11-13,15-16,18,20-21H,6-8H2,1H3/t11-,12-,13+,15-,16+ |
| InChIKey |
SVTKQUPFOUSWAL-NQPNPBMCSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020512m |
| Molecular Weight |
307.346 g/mol |
| Optical Rotation |
[a]D = +0.0 (c = 0.57, EtOH) |
| Reported Formula |
C16H21NO5 |
| SMILES |
Oc1cc(CC(O[C@]2(C[C@@]3(N([C@@]([C@]([C@]3(O)[H])(O)[H])(C2)[H])C)[H])[H])=O)ccc1 |
| SPLASH |
splash10-0007-9100000000-3b0f975b7c2951aee104 |
| Source of Spectrum |
G4-66-502-8 |
| Wiley ID |
1881354 |
