| SpectraBase Spectrum ID |
2RzRhYlPbJZ |
| Name |
Trigonostemon A |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,19H,4-7H2,1-3H3/t15-/m0/s1 |
| InChIKey |
SNPJTHCQJKHNCV-HNNXBMFYSA-N |
| Instrument Name |
Finnigan MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9006074 |
| Molecular Weight |
270.372 g/mol |
| Optical Rotation |
[a]D23 = +238 (c = 0.13, MeOH) |
| Reported Formula |
C18H22O2 |
| SMILES |
Oc1cc2c(CC[C@]3(C(CCC(C3(C)C)=O)=C2)[H])cc1C |
| SPLASH |
splash10-0079-0970000000-2bebb81a174977af16a2 |
| Source of Spectrum |
G4-73-43-1 |
| Wiley ID |
1846382 |
