| SpectraBase Spectrum ID |
IWh5E7nrEPR |
| Name |
Maceneolignan A |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)20(26-21(15)18(9-13)25-5)14-10-16(23-3)19(22)17(11-14)24-4/h6-12,20,22H,1-5H3/b7-6+/t12-,20-/m1/s1 |
| InChIKey |
LYZVPGMCGPXCQO-FVFSBHJXSA-N |
| Instrument Name |
JMS-GCMate |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.6b00262 |
| Molecular Weight |
356.418 g/mol |
| Optical Rotation |
[a]D26 = +34 (c = 1.6, CHCl3) |
| Reported Formula |
C21H24O5 |
| SMILES |
Oc1c(cc(cc1OC)[C@]1([C@@](c2c(O1)c(cc(c2)\C=C\C)OC)(C)[H])[H])OC |
| SPLASH |
splash10-0a4i-0109000000-fdcfd323f3f2d3779104 |
| Source of Spectrum |
G4-79-2011-1 |
| Wiley ID |
1849381 |
