| SpectraBase Spectrum ID |
1FYumdz5LeK |
| Name |
3-Chloro-4-O-demethylmicrophyllinic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H33ClO9 |
| InChI |
InChI=1S/C28H33ClO9/c1-3-5-7-9-18(30)11-16-13-20(15-21(32)23(16)27(35)36)38-28(37)24-17(12-19(31)10-8-6-4-2)14-22(33)25(29)26(24)34/h13-15,32-34H,3-12H2,1-2H3,(H,35,36) |
| InChIKey |
BPJDVGBAAABJDD-UHFFFAOYSA-N |
| Molecular Weight |
549.016 g/mol |
| SMILES |
Oc1cc(OC(c2c(c(c(cc2CC(=O)CCCCC)O)Cl)O)=O)cc(c1C(=O)O)CC(=O)CCCCC |
| SPLASH |
splash10-001i-0490000000-0b4f5559f44224054008 |
| Source of Spectrum |
B-53-1008-2 |
| Synonyms |
3'-[(Hexanoyl)methyl]-4'-(hydroxycarbonyl)-5'-hydroxyphenyl-2,4-dihydroxy-6-[(hexanoyl)methyl]-3-chloro-1-benzoate
3'-[(Pentanoyl)methyl]-4'-(hydroxycarbonyl)-5'-hydroxyphenyl-2,4-dihydroxy-6-[(pentanoyl)methyl]-3-chloro-1-benzoate |
| Wiley ID |
810931 |
