| SpectraBase Spectrum ID |
9WqRJV3ZLkB |
| Name |
1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)anthracene-9,10-dione |
| Alternate Name(s) |
2-caproyl-1,3,8-trihydroxy-6-methoxy-9,10-anthraquinone
2-hexanoyl-1,3,8-trihydroxy-6-methoxy-anthracene-9,10-dione
2-hexanoyl-6-methoxy-1,3,8-tris(oxidanyl)anthracene-9,10-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-3-4-5-6-13(22)18-15(24)9-12-17(21(18)27)20(26)16-11(19(12)25)7-10(28-2)8-14(16)23/h7-9,23-24,27H,3-6H2,1-2H3 |
| InChIKey |
MLTVHORGISIISB-UHFFFAOYSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
Oc1cc(cc2C(c3c(c(c(c(c3)O)C(CCCCC)=O)O)C(c12)=O)=O)OC |
| SPLASH |
splash10-03di-0009000000-58d317b0cb6b18e39d5a |
| Source of Spectrum |
SO-0-708-13 |
| Wiley ID |
1544951 |
