α-acetyldigitoxin
Chemical Formula:
C43H66O14
Molecular Weight:
806.986 Daltons
Monoisotopic Mass:
806.986 Daltons
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
InChIKey:
Databases
ChEBI:
53773
KEGG:
D06881
PubChem (CID):
5284512
MetaCyc:
CPD-22612
RefMet:
Acetyldigitoxin