Name: Acetyldigitoxin
CAS#: 1111-39-3
Chemical Formula: C43H66O14
Exact Mass: 806.4453
Molecular Weight: 806.98
Elemental Analysis: C, 64.00; H, 8.24; O, 27.76
Description: Acetyldigitoxin is a Cardioactive derivative of lanatoside A or of DIGITOXIN. It is used for fast digitalization in congestive heart failure.
IUPAC/Chemical Name: (3beta,5beta)-3-((O-3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
InChi Key: HPMZBILYSWLILX-UMDUKNJSSA-N
InChi Code: InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
SMILES Code: C[C@H]1O[C@@H](O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]3[C@H](C[C@@H](O[C@@H]3C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@@]7([C@@H](C8=CC(OC8)=O)CC[C@]67O)C)C)O)O)C[C@@H]([C@@H]1O)OC(C)=O
Appearance: Solid powder
關(guān)鍵字： 1111-39-3;Acetyldigitoxin;
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