| SpectraBase Spectrum ID |
Af3J6ZaEHsO |
| Name |
Trigonostemon B |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c1-10-6-13-12(8-15(10)19)7-11-4-5-17(21)18(2,3)14(11)9-16(13)20/h4-8,14,19H,9H2,1-3H3/t14-/m0/s1 |
| InChIKey |
QLUGKLSOYXIDKZ-AWEZNQCLSA-N |
| Instrument Name |
Finnigan MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9006074 |
| Molecular Weight |
282.339 g/mol |
| Optical Rotation |
[a]D23 = -57 (c = 0.065, MeOH) |
| Reported Formula |
C18H18O3 |
| SMILES |
Oc1cc2c(C(C[C@]3(C(C=CC(C3(C)C)=O)=C2)[H])=O)cc1C |
| SPLASH |
splash10-0a4i-9200000000-51730db90d3fa4100929 |
| Source of Spectrum |
G4-73-43-3 |
| Wiley ID |
1846383 |
