| SpectraBase Spectrum ID |
1ZFJio7CGlB |
| Name |
Methylclavorubin - methyl ester |
| Alternate Name(s) |
methyl 5,6,8-trihydroxy-1-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14O8 |
| InChI |
InChI=1S/C18H14O8/c1-6-4-7-11(17(25-2)10(6)18(24)26-3)16(23)12-8(19)5-9(20)15(22)13(12)14(7)21/h4-5,19-20,22H,1-3H3 |
| InChIKey |
JTOLWOMEGYCEOR-UHFFFAOYSA-N |
| Molecular Weight |
358.302 g/mol |
| SMILES |
Oc1c2C(c3c(C(c2c(cc1O)O)=O)c(c(c(c3)C)C(=O)OC)OC)=O |
| SPLASH |
splash10-004i-0009000000-8ff5e71df9652e18d011 |
| Source of Spectrum |
B-51-351-4 |
| Wiley ID |
746153 |
