| SpectraBase Spectrum ID |
Ko8DDOfow0P |
| Name |
Pycnanthulignene B |
| Appearance |
Yellow viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O4 |
| InChI |
InChI=1S/C21H22O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-10,13,21H,11H2,1-4H3/t13-,21-/m0/s1 |
| InChIKey |
AXECTJWCJSQYPZ-ZSEKCTLFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np9007393 |
| Molecular Weight |
338.403 g/mol |
| Optical Rotation |
[a]D20.2 = +118.5 (c = 0.338, EtOH) |
| Reported Formula |
C21H22O4 |
| SMILES |
c1(cc2c(cc1OC)[C@@]([C@](C(=C2)C)(C)[H])(c1cc2c(cc1)OCO2)[H])OC |
| SPLASH |
splash10-0079-0019000000-9c49eff254cb28879931 |
| Source of Spectrum |
G4-73-215-2 |
| Wiley ID |
1846414 |
