Carmine (C.I. 75470) (Technical Grade)
Product Overview
Product Code
TRC-C183653
CAS Number
1390-65-4
Product Format
Neat
Molecular Formula
C22H15AlCaO13
Molecular Weight
554.41
Product Categories
Product Type
ContaminantDocumentation
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Product Information
Chemical Data
Analyte Name
Carmine (C.I. 75470) (Technical Grade)
CAS Number
1390-65-4
Molecular Formula
C22H15AlCaO13
Molecular Weight
554.41
Accurate Mass
553.9954
SMILES
[Al+3].[Ca+2].Cc1c(C(=O)[O-])c([O-])cc2C(=O)c3c([O-])c([O-])c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c([O-])c3C(=O)c12
InChI
InChI=1S/C22H20O13.Al.Ca/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;;/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);;/q;+3;+2/p-5/t7-,14-,19+,20-,21+;;/m1../s1
IUPAC
aluminum;calcium;1-methyl-3,5,6,8-tetraoxido-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
Product Data
Storage Temperature
+20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Contaminant
Product Format
Neat
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