| SpectraBase Spectrum ID |
B1oLrlLx1F2 |
| Name |
Pycnanthulignene A |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-12-9-15-10-18(22-3)19(23-4)11-17(15)20(13(12)2)14-5-7-16(21)8-6-14/h5-11,13,20-21H,1-4H3/t13-,20-/m0/s1 |
| InChIKey |
HCDYEUTVLWYHQC-RBZFPXEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9007393 |
| Molecular Weight |
310.393 g/mol |
| Optical Rotation |
[a]D20.2 = +33.8 (c = 0.31, EtOH) |
| Reported Formula |
C20H22O3 |
| SMILES |
Oc1ccc([C@@]2([C@](C(=Cc3cc(c(cc23)OC)OC)C)(C)[H])[H])cc1 |
| SPLASH |
splash10-03dj-0099000000-f17ec1625f8619c19261 |
| Source of Spectrum |
G4-73-215-1 |
| Wiley ID |
1846413 |
