| SpectraBase Spectrum ID |
5DWQjSPwNhY |
| Name |
6.beta.-Benzoyloxy-3.alpha.-(Z)-(3,4,5-trimethoxycinnamoyloxy)-tropane |
| Appearance |
White amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31NO7 |
| InChI |
InChI=1S/C27H31NO7/c1-28-19-14-20(16-21(28)22(15-19)35-27(30)18-8-6-5-7-9-18)34-25(29)11-10-17-12-23(31-2)26(33-4)24(13-17)32-3/h5-13,19-22H,14-16H2,1-4H3/b11-10-/t19-,20+,21+,22-/m0/s1 |
| InChIKey |
PLZLLRPGNBZDSI-RRPJJGLISA-N |
| Instrument Name |
Finnigan MAT-90 or VG 7070-HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0104774 |
| Molecular Weight |
481.545 g/mol |
| Optical Rotation |
[a]D = +4.0 (c = 0.17, CHCl3) |
| Reported Formula |
C27H31NO7 |
| SMILES |
[C@]12([C@](C[C@](C[C@](C2)(OC(\C=C/c2cc(c(c(c2)OC)OC)OC)=O)[H])(N1C)[H])(OC(c1ccccc1)=O)[H])[H] |
| SPLASH |
splash10-0006-9240100000-7e095cc1631269eabef9 |
| Source of Spectrum |
G4-65-609-2 |
| Wiley ID |
1881105 |
