Methyl lecanorate
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| Category | Others |
| Catalog number | BBF-05448 |
| CAS | 5488-55-1 |
| Molecular Weight | 332.30 |
| Molecular Formula | C17H16O7 |
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Specification
| Synonyms | Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester; Benzoic acid, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, methyl ester; β-Resorcylic acid, 6-methyl-, methyl ester, 4-(6-methyl-β-resorcylate) |
| IUPAC Name | (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2,4-dihydroxy-6-methylbenzoate |
| Canonical SMILES | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC)O)O)O |
| InChI | InChI=1S/C17H16O7/c1-8-4-10(18)6-12(19)15(8)17(22)24-11-5-9(2)14(13(20)7-11)16(21)23-3/h4-7,18-20H,1-3H3 |
| InChI Key | JZEXCFQVLKNNQY-UHFFFAOYSA-N |
Properties
| Boiling Point | 511.3±50.0°C at 760 mmHg |
| Melting Point | 144-146°C |
| Density | 1.392±0.06 g/cm3 |
Reference Reading
1. β-Orcinol-type depsides from the lichen Thamnolia vermicularis
Wen-Juan Xiang, Qi-Qi Wang, Lei Ma, Li-Hong Hu Nat Prod Res. 2013;27(9):804-8. doi: 10.1080/14786419.2012.704374. Epub 2012 Jul 16.
A phytochemical investigation of a herb tea made from Thamnolia vermicularis led to the isolation of three new β-orcinol-type depsides (1, 2 and 3), along with seven known compounds hypothamnolic acid (4), 3'-methylevenic acid (5), baeomycesic acid (6), squamatic acid (7), methyl 3'-methyllecanorate (8), barbatinic acid (9) and atranorin (10). The structures of the new compounds were determined on the basis of spectroscopic evidence, including 1-D and 2-D NMR and ESI-MS techniques.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
