| SpectraBase Spectrum ID |
1DlcKzJnxZ1 |
| Name |
Trigonostemon D |
| Appearance |
Cubic crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O4 |
| InChI |
InChI=1S/C19H22O4/c1-11-7-12-5-6-19(22)14(8-13(12)9-15(11)20)16(23-4)10-17(21)18(19,2)3/h7-10,20,22H,5-6H2,1-4H3/t19-/m1/s1 |
| InChIKey |
LYYKCWBLUXKWEW-LJQANCHMSA-N |
| Instrument Name |
Finnigan MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9006074 |
| Molecular Weight |
314.381 g/mol |
| Optical Rotation |
[a]D23 = +174.3 (c = 0.07, MeOH) |
| Reported Formula |
C19H22O4 |
| SMILES |
Oc1c(cc2c(C=C3[C@@](C(C(C=C3OC)=O)(C)C)(CC2)O)c1)C |
| SPLASH |
splash10-01t9-1195000000-361eb8d3e2c2b34a8e10 |
| Source of Spectrum |
G4-73-43-6 |
| Wiley ID |
1846385 |
