3-O-Caffeoylquinic acid methyl ester

3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata.

Product information

CAS Number: 123483-19-2

Molecular Weight: 368.34

Formula: C17H20O9

Chemical Name: methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate

Smiles: COC(=O)[C@@]1(O)C[C@@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)C1

InChiKey: MZNIJRAPCCELQX-AWOKGZDASA-N

InChi: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.