MALVIN CHLORIDE(16727-30-3) IR1
Product NameMALVIN CHLORIDE
CAS16727-30-3
Molecular FormulaC29H35ClO17
Molecular Weight691.03
InChIInChI=1/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/s3
InChIKey RHKJIVJBQJXLBY-WGXSAHQMNA-N
SmilesC1([O+]=C2C(C(=CC(O)=C2)O[C@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)=CC=1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)C1C=C(C(O)=C(OC)C=1)OC.[Cl-] |&1:10,11,13,14,16,24,25,27,28,30,r|
KBr disc
