| SpectraBase Spectrum ID |
94LgJUJUHNx |
| Name |
Obovatin |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18O4 |
| InChI |
InChI=1S/C20H18O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-9,11,16,22H,10H2,1-2H3/t16-/m0/s1 |
| InChIKey |
VYVZELWVPQMZDE-INIZCTEOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1004664 |
| Molecular Weight |
322.360 g/mol |
| Optical Rotation |
[a]D25 = -40 (c = 0.09, MeOH) |
| Reported Formula |
C20H18O4 |
| SMILES |
Oc1c2c(c3c(c1)OC(C=C3)(C)C)O[C@@](CC2=O)(c1ccccc1)[H] |
| SPLASH |
splash10-0zfr-0094000000-bf99a43acd1b8290132e |
| Source of Spectrum |
G4-74-161-4 |
| Wiley ID |
1849033 |
