| SpectraBase Spectrum ID |
3Sl0LfrIf2 |
| Name |
Panduratin A |
| Appearance |
White amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O4 |
| InChI |
InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1 |
| InChIKey |
LYDZCXVWCFJAKQ-ZFGGDYGUSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020249p |
| Molecular Weight |
406.522 g/mol |
| Optical Rotation |
[a]D20 = 0 (c = 0.11, MeOH) |
| SMILES |
Oc1cc(cc(c1C([C@]1([C@](c2ccccc2)(CC=C([C@]1(CC=C(C)C)[H])C)[H])[H])=O)O)OC |
| SPLASH |
splash10-00xr-0890000000-61a869ece991a2e6596e |
| Source of Spectrum |
G4-65-SM1-Panduratin A |
| Wiley ID |
1883507 |
