| SpectraBase Spectrum ID |
8JoVQCyNbro |
| Name |
1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-1-butenyl)- |
| Alternate Name(s) |
Isolapachol
2-Hydroxy-3-[(1E)-3-methyl-1-butenyl]naphthoquinone
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-1-butenyl)-
3-(3-Methylbut-1-enyl)naphthalene-1,2,4-trione
3-(3-Methylbut-1-enyl)tetralin-1,2,4-trione |
| CAS Registry Number |
4042-39-1 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-9,18H,1-2H3/b8-7+ |
| InChIKey |
FHECNCZIYPTBRB-BQYQJAHWSA-N |
| Molecular Weight |
242.274 g/mol |
| SMILES |
OC=1C(c2ccccc2C(C1\C=C\C(C)C)=O)=O |
| SPLASH |
splash10-004i-6890000000-026262d9ced4b723c18f |
| Source of Spectrum |
O-3-842-1 |
| Wiley ID |
33497 |
