| SpectraBase Spectrum ID |
9Z8TJiQ2lAc |
| Name |
3.alpha.-(E)-4-Hydroxysenecioyloxy-6.beta.-senecioyloxytropane |
| Alternate Name(s) |
Schizanthine O |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO5 |
| InChI |
InChI=1S/C18H27NO5/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14-,15+,16-/m1/s1 |
| InChIKey |
IIIIUNUEKKQHPF-UMDHEIRRSA-N |
| Instrument Name |
Hewlett-Packard 5890 series II-Agilent Technologies HP 5972 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1005423 |
| Molecular Weight |
337.416 g/mol |
| Optical Rotation |
[a]D25 = -8.0 (c = 0.05, MeOH) |
| Reported Formula |
C18H27NO5 |
| SMILES |
OC\C(=C\C(O[C@@]1(C[C@@]2(C[C@@](OC(C=C(C)C)=O)([C@](C1)(N2C)[H])[H])[H])[H])=O)C |
| SPLASH |
splash10-0007-9100000000-7f72a9a44801187c8def |
| Source of Spectrum |
G4-74-52-2 |
| Wiley ID |
1849015 |
