ERYTHROMYCIN SALNACEDIN

CAS No.
149908-23-6
CCD No.
CCD00173695
Formula
C37 H67 N O13 . C12 H13 N O5 S . 2 H2 O
MolWeight
1053.26

Basic Information

Product Name: ERYTHROMYCIN SALNACEDIN
CAS: 149908-23-6
English Synonyms: ERYTHROMYCIN SALNACEDIN
MDL Number.: MFCD00864555
H bond acceptor: 14
H bond donor: 5
Smile: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.CC(=O)NC(CSC(=O)c1ccccc1O)C(=O)O.O.O
InChi: InChI=1S/C37H67NO13.C12H13NO5S.2H2O/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-7(14)13-9(11(16)17)6-19-12(18)8-4-2-3-5-10(8)15;;/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-5,9,15H,6H2,1H3,(H,13,14)(H,16,17);2*1H2/t18-,19+,20+,21+,22-,23+,24-,25-,26+,28+,29+,30-,31+,32-,34-,35-,36-,37-;;;/m1.../s1
InChiKey: InChIKey=IIFAEKHIVMOCLV-RJMNOIFWSA-N

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