| SpectraBase Spectrum ID |
Clo5RHKWW4o |
| Name |
1,8-dihydroxy-3-(4-hydroxy-3-methylol-but-2-enoxy)-6-methyl-9,10-anthraquinone |
| Alternate Name(s) |
1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methyl-anthracene-9,10-dione
3-[3-(hydroxymethyl)-4-oxidanyl-but-2-enoxy]-6-methyl-1,8-bis(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/c1-10-4-13-17(15(23)5-10)20(26)18-14(19(13)25)6-12(7-16(18)24)27-3-2-11(8-21)9-22/h2,4-7,21-24H,3,8-9H2,1H3 |
| InChIKey |
KXYDNSYCGHPPDC-UHFFFAOYSA-N |
| Molecular Weight |
370.357 g/mol |
| SMILES |
Oc1cc(OCC=C(CO)CO)cc2C(c3c(C(c12)=O)c(cc(c3)C)O)=O |
| SPLASH |
splash10-014i-0091000000-bcaf2fbce9a6e7dfa2f3 |
| Source of Spectrum |
G4-63-20-8 |
| Wiley ID |
1608199 |
