Pentaformyl-digoxin

Structural Information

Molecular Formula

C₄₆H₆₄O₁₉

SMILES

C[C@H]1C[C@H](O[C@@H]([C@H]1O[C@H]2C[C@@H]([C@@H]([C@H](O2)C)OC=O)OC=O)OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)OC=O)C)C

InChI

InChI=1S/C46H64O19/c1-24-12-37(65-43(59-23-51)40(24)63-39-16-33(55-19-47)41(58-22-50)25(2)60-39)64-42-26(3)61-38(17-34(42)56-20-48)62-29-8-10-44(4)28(14-29)6-7-31-32(44)15-35(57-21-49)45(5)30(9-11-46(31,45)53)27-13-36(52)54-18-27/h13,19-26,28-35,37-43,53H,6-12,14-18H2,1-5H3/t24-,25+,26+,28+,29-,30+,31+,32-,33-,34-,35+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1

InChIKey

XXQKBYWZPGTSQA-DHHAOGPWSA-N

Compound name

[(2R,3R,4S,6R)-3-[(2S,4S,5S,6R)-5-[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyloxan-2-yl]oxy-6-formyloxy-4-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] formate

Related CIDs

• CID 202760