| SpectraBase Spectrum ID |
3ai6oRyoYrb |
| Name |
Trigonostemon C |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O3 |
| InChI |
InChI=1S/C19H22O3/c1-11-7-12-5-6-15-14(8-13(12)9-16(11)20)17(22-4)10-18(21)19(15,2)3/h7-10,15,20H,5-6H2,1-4H3/t15-/m0/s1 |
| InChIKey |
PNEXLJOXVNSKNV-HNNXBMFYSA-N |
| Instrument Name |
Finnigan MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9006074 |
| Molecular Weight |
298.382 g/mol |
| Optical Rotation |
[a]D23 = +115.3 (c = 0.085, MeOH) |
| Reported Formula |
C19H22O3 |
| SMILES |
Oc1cc2c(CC[C@]3(C(C(=CC(C3(C)C)=O)OC)=C2)[H])cc1C |
| SPLASH |
splash10-0a4j-1090000000-209fca149c345a4001aa |
| Source of Spectrum |
G4-73-43-5 |
| Wiley ID |
1846384 |
