3'',4''-DIACETYLSPIRAMYCIN III

CAS No.
110159-29-0
CCD No.
CCD00245308
Formula
C50 H82 N2 O17
MolWeight
983.195

Basic Information

Product Name: 3'',4''-DIACETYLSPIRAMYCIN III
CAS: 110159-29-0
English Synonyms: 3'',4''-DIACETYLSPIRAMYCIN III
MDL Number.: MFCD01716244
H bond acceptor: 19
H bond donor: 1
Smile: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C)C
InChi: InChI=1S/C50H82N2O17/c1-15-39(56)65-38-26-40(57)60-29(3)19-17-16-18-20-37(66-41-22-21-36(51(10)11)30(4)61-41)28(2)25-35(23-24-53)46(47(38)59-14)68-49-44(58)43(52(12)13)45(31(5)63-49)67-42-27-50(9,69-34(8)55)48(32(6)62-42)64-33(7)54/h16-18,20,24,28-32,35-38,41-49,58H,15,19,21-23,25-27H2,1-14H3/b17-16+,20-18+/t28-,29-,30-,31-,32+,35+,36+,37+,38-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-/m1/s1
InChiKey: InChIKey=BQLZZUKTDQZPOP-ZEOBNACLSA-N

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