| SpectraBase Spectrum ID |
4ns4jsaTCSb |
| Name |
2-Hexanoyl-1,3,6,8-tetrahydroxyanthraquinone |
| Alternate Name(s) |
1,3,6,8-tetrahydroxy-2-(1-oxohexyl)anthracene-9,10-dione
2-caproyl-1,3,6,8-tetrahydroxy-9,10-anthraquinone
2-hexanoyl-1,3,6,8-tetrahydroxy-anthracene-9,10-dione
2-hexanoyl-1,3,6,8-tetrakis(oxidanyl)anthracene-9,10-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18O7 |
| InChI |
InChI=1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3 |
| InChIKey |
XIJDBHLQUYAZJI-UHFFFAOYSA-N |
| Molecular Weight |
370.357 g/mol |
| SMILES |
Oc1cc(cc2C(c3c(c(c(c(c3)O)C(CCCCC)=O)O)C(c12)=O)=O)O |
| SPLASH |
splash10-0002-0092000000-35c6eeab0226e86f36b9 |
| Source of Spectrum |
SO-0-708-13 |
| Wiley ID |
1544952 |
