Chlorogenic Acid-13C3
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- structure.search.product.name Chlorogenic Acid-13C3
- Product Code: TRC-C366542
- Brand: TRC
Product Overview
Product Code
TRC-C366542
Product Format
Neat
Molecular Formula
13C3 C13 H18 O9
Molecular Weight
357.287
Product Categories
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Chlorogenic Acid-13C3
Molecular Formula
13C3 C13 H18 O9
Molecular Weight
357.287
Accurate Mass
357.105
SMILES
O[C@@H]1C[C@](O)(C[C@@H](O[13C](=O)\[13CH]=[13CH]\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1/i2+1,4+1,13+1
IUPAC
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)(1,2,3-13C3)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Unlabelled CAS Number
327-97-9
SIL Type
Carbon
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity; Stable Isotope Labelled
Product Format
Neat
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