Erythromycin Estolate(3521-62-8) IR1
Product NameErythromycin Estolate
CAS3521-62-8
Molecular FormulaC52H97NO18S
Molecular Weight1056.39
InChIInChI=1/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/s3
InChIKey AWMFUEJKWXESNL-QTEUPTDTNA-N
Smiles[C@@H]1(OC(=O)CC)[C@@H](N(C)C)C[C@@H](C)O[C@H]1O[C@@H]1[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]1(O)C)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C.C(COS(=O)(=O)O)CCCCCCCCCC |&1:0,6,11,14,16,17,19,20,25,28,31,33,37,40,44,46,47,49,r|
