| SpectraBase Spectrum ID |
n7eabtqs2y |
| Name |
2-Anthraceneacetic acid, 9,10-dihydro-1,4-dihydroxy-3-(3-hydroxybutyl)-9,10-dioxo-, methyl ester |
| CAS Registry Number |
69016-82-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-10(22)7-8-13-14(9-15(23)28-2)21(27)17-16(20(13)26)18(24)11-5-3-4-6-12(11)19(17)25/h3-6,10,22,26-27H,7-9H2,1-2H3 |
| InChIKey |
HIHNSFTVPHXCNY-UHFFFAOYSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
Oc1c2c(c(c(c1CCC(O)C)CC(=O)OC)O)C(c1c(C2=O)cccc1)=O |
| SPLASH |
splash10-067i-0039000000-ea9dba5407e5fde8b885 |
| Source of Spectrum |
K-111-3835-0 |
| Synonyms |
Methyl ester of(1,4-dihydroxy-3-(3-hydroxybutyl)-9,10-anthraquinone-2-yl)methylcarboxylic acid
Methyl[1,4-dihydroxy-3-(3-hydroxybutyl)-9,10-dioxo-9,10-dihydro-2-anthracenyl]acetate |
| Wiley ID |
1361504 |
