| SpectraBase Spectrum ID |
69T23whYnAt |
| Name |
2,12-Dichloroisoplagiochin D |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.089514584 u |
| Formula |
C28H22Cl2O4 |
| InChI |
InChI=1S/C28H22Cl2O4/c29-23-14-20-18(13-27(23)33)6-3-17-10-22(28(34)24(30)11-17)21-9-15(5-8-25(21)31)1-2-16-4-7-19(20)26(32)12-16/h4-5,7-14,31-34H,1-3,6H2 |
| InChIKey |
LJSXPWWNJOGXBB-UHFFFAOYSA-N |
| Molecular Weight |
493.386 g/mol |
| SMILES |
C1=2C=3C(=CC=C(C3)CCC=3C=C(O)C(C=4C(CCC(=C1)C=C(C2O)Cl)=CC(O)=C(C4)Cl)=CC3)O |
