| SpectraBase Spectrum ID |
B1YFyY92Xfg |
| Name |
Monorden |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17ClO6 |
| InChI |
InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14+,15+/m0/s1 |
| InChIKey |
WYZWZEOGROVVHK-RFVWBQTHSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020556v |
| Molecular Weight |
364.781 g/mol |
| Optical Rotation |
[a]D20 = +108 (c = 0.05, CHCl3) |
| Reported Formula |
C18H17ClO6 |
| SMILES |
Oc1c(c2c(c(c1)O)C(O[C@](C[C@@]1([C@@](\C=C/C=C/C(C2)=O)(O1)[H])[H])(C)[H])=O)Cl |
| SPLASH |
splash10-001i-0910000000-e76279ea78a1c7f91eec |
| Source of Spectrum |
G4-66-835-1 |
| Wiley ID |
1881418 |
