16-ACETYLGITOXIN ,7242-07-1 _Chemical Cloud Database

16-ACETYLGITOXIN

Basic Information
Product Name：	16-ACETYLGITOXIN
CAS：	7242-07-1
English Synonyms：	ACETYLGITOXIN, 16- ; 16-ACETYLGITOXIN ; GITOXIN 16-BETA-ACETATE ; ACETYL-16-GITOXINE
MDL Number.：	MFCD00053460
H bond acceptor：	15
H bond donor：	5
Smile：	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC(=O)C)O)C)C)C)C)O)O
InChi：	InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
InChiKey：	InChIKey=NEBPBFLVSYFRQE-FVNRWCPUSA-N
Property
Safety information

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