Carmine(1390-65-4) 1H NMR
Molecular FormulaC22H20O13
Molecular Weight492.39
InChIInChI=1/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+;;/s3
InChIKey NRRCIUMXCVOIJX-ZMKVHQSANA-I
SmilesC12=C([O-])C(=C([O-])C([O-])=C1C(=O)C1C=C([O-])C(C([O-])=O)=C(C)C=1C2=O)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O.[Al+3].[Ca+2] |&1:24,25,27,28,30,r|
