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AG003OTU

6001-76-9 | Chlorogenic acid hemihydrate

Chemical structure of Chlorogenic acid hemihydrate, CAS 6001-76-9
AG003OTU
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CAS Number 6001-76-9
Catalog Number AG003OTU(AGN-PC-0SUFVC)
Chemical Name Chlorogenic acid hemihydrate
IUPAC Name (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid;hydrate
InChI InChI=1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1H2/b2*4-2+;/t2*11-,12-,14-,16+;/m11./s1
InChI Key KMUJVRDSAIKKTF-MTDLMOCGSA-N
MDL Number MFCD02179353
Molecular Formula C16H18O9
Molecular Weight 354.3087
SMILES O=C(OC1C[C@@](O)(CC([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Synonyms
Chlorogenic acid hemihydrate, 6001-76-9, DTXSID80745381, C16H18O9.0.5H2O, O675, Chlorogenic acid hemihydrate, >=98.0% (T), 001C769, (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid--water (2/1), Chlorogenic acid, hemihydrate, 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, hemihydrate, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited