2'-O-ACETYL-4''-O-TERT-BUTYLDIMETHYLSILYLSPIRAMYCIN I 3,18-(O-TERT-BUTYLDIMETHYLSILYL)ACETAL

96405-32-2

MFCD12031587

C57 H104 N2 O15 Si2

1113.62

InChI=1S/C57H104N2O15Si2/c1-34-30-40-31-46(73-75(19,20)55(7,8)9)70-43(32-44(61)64-35(2)26-24-23-25-27-42(34)69-45-29-28-41(58(14)15)36(3)65-45)51(63-18)50(40)72-54-52(68-39(6)60)48(59(16)17)49(37(4)67-54)71-47-33-57(13,62)53(38(5)66-47)74-76(21,22)56(10,11)12/h23-25,27,34-38,40-43,45-54,62H,26,28-33H2,1-22H3/b24-23+,27-25+/t34-,35-,36-,37-,38+,40-,41+,42+,43-,45+,46-,47+,48+,49-,50+,51+,52-,53+,54+,57-/m1/s1

InChIKey=HRFRCVVOQSNCSV-MHKHSPQKSA-N

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@H](O[C@H](CC(=O)O1)[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)O[C@H]5CC[C@@H]([C@H](O5)C)N(C)C

H bond donor:1

H bond acceptor:17

XLogP3:7.0

Bulk/Fine:FB