| SpectraBase Spectrum ID |
BLHoJ2bNKLh |
| Name |
Photosantonin |
| Alternate Name(s) |
Ethyl (3E)-3-((3S,3aS)-3-methyl-6-(1-methylethylidene)-2-oxohexahydro-1-benzofuran-7(4H)-ylidene)propanoate |
| CAS Registry Number |
23811-40-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-5-20-15(18)9-8-14-12(10(2)3)6-7-13-11(4)17(19)21-16(13)14/h8,11,13,16H,5-7,9H2,1-4H3/b14-8+/t11?,13-,16?/m0/s1 |
| InChIKey |
AWACMYXBOMASOX-FFCIMULMSA-N |
| Molecular Weight |
292.375 g/mol |
| SMILES |
C12\C(C(CC[C@]1(C(C(O2)=O)C)[H])=C(C)C)=C\CC(=O)OCC |
| SPLASH |
splash10-00kg-5960000000-8a3de75a02e7494a3600 |
| Source of Spectrum |
J-46-1742-0 |
| Wiley ID |
1295541 |
