DIGITOXIGENIN 3-ACETATE ,808-19-5 _Chemical Cloud Database

DIGITOXIGENIN 3-ACETATE

Basic Information
Product Name：	DIGITOXIGENIN 3-ACETATE
CAS：	808-19-5
English Synonyms：	DIGITOXIGENIN 3-ACETATE
MDL Number.：	MFCD00012255
H bond acceptor：	5
H bond donor：	1
Smile：	CC(=O)O[C@H]1CC[C@]2(C(C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C
InChi：	InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17?,18-,19+,20-,21+,23-,24+,25-/m0/s1
InChiKey：	InChIKey=WJOGTCZNZPHODB-KIRXEDILSA-N
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