| SpectraBase Spectrum ID |
BaQCTovVNGq |
| Name |
Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenylidene)-, [4E(E),4aR*,7E,11aS*]-(+)- |
| CAS Registry Number |
80388-47-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,10,14,17,19H,4,6,9,11-13H2,1-3H3/b7-5+,15-8-,18-10+ |
| InChIKey |
JIMPLIPTKQIYKW-VWJXGROTSA-N |
| Molecular Weight |
300.442 g/mol |
| SMILES |
C12\C(C(OCC2C(=C)CC\C=C/(CC1)C)=O)=C/C=C/C(C)C |
| SPLASH |
splash10-0pb9-0095000000-017b234b13060b4886a9 |
| Source of Spectrum |
F-37-2730-0 |
| Synonyms |
(4E)-7-methyl-11-methylene-4-[(2E)-4-methyl-2-pentenylidene]-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one
Coraxeniolide B |
| Wiley ID |
1303338 |
![Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenylidene)-, [4E(E),4aR*,7E,11aS*]-(+)-](/api/spectrum/BaQCTovVNGq/structure.png?h=300&w=458 "Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenylidene)-, [4E(E),4aR*,7E,11aS*]-(+)-")
