| SpectraBase Spectrum ID |
o4w5fvx34O |
| Name |
.alpha.-Toxicarol |
| Appearance |
Yellowish crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22O7 |
| InChI |
InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1 |
| InChIKey |
JLTNCZQNGBLBGO-MOPGFXCFSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0302100 |
| Molecular Weight |
410.422 g/mol |
| Optical Rotation |
[a]D20 = +34.4 (c = 0.5, CHCl3) |
| SMILES |
Oc1c2c(c3c(c1)OC(C=C3)(C)C)O[C@]1([C@@](C2=O)(c2c(OC1)cc(c(c2)OC)OC)[H])[H] |
| SPLASH |
splash10-01ox-0912400000-b21ca966b9f525b5f264 |
| Source of Spectrum |
G4-66-1169-6 |
| Wiley ID |
1884004 |
