| SpectraBase Spectrum ID |
4oGbXF3ujW0 |
| Name |
santonin |
| Alternate Name(s) |
.alpha.-Santonin
6-.alpha.(H)-Santonin
6,11-alpha(H)-Santonin
NSC240831
NSC240834
NSC311146
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-naphtho[7,8-d]furan-2,8-dione
3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione |
| Comments |
CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000927 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3 |
| InChIKey |
XJHDMGJURBVLLE-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
CC1C2CCC3(C)C=CC(C(C)=C3C2OC1=O)=O |
| SPLASH |
splash10-0596-2900000000-4c0a91073cce85f13f81 |
| Source of Spectrum |
FM-2019-927-0 |
| Wiley ID |
1818593 |
