CAS Registry Number®
30685-43-9
CAS Name
Methyldigoxin
Molecular Formula
C42H66O14
Molecular Mass
794.97
Other Names and Identifiers
InChI
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3
InChIKey
InChIKey=IYJMSDVSVHDVGT-UHFFFAOYSA-N
SMILES
OC12C(C)(C(CC1)C3=CC(=O)OC3)C(O)CC4C2CCC5C4(C)CCC(OC6CC(O)C(OC7CC(O)C(OC8CC(O)C(OC)C(C)O8)C(C)O7)C(C)O6)C5
Canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CC(O)C23C
Other Names for this Substance
- Card-20(22)-enolide, 3-[(O-2,6-dideoxy-4-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D–ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-
- Digoxin, 4′′′-O-methyl-
- (3β,5β,12β)-3-[(O-2,6-Dideoxy-4-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D–ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
- β-Methyldigoxin
- 4′′′-Methyldigoxin
- 4′′′-β-Methyldigoxin
- Lanitop
- Methyldigoxin
- Medigoxin
- 4′′′-O-Methyldigoxin
- Metildigoxin
- Lanirapid
Deleted or Replaced CAS Registry Numbers
25896-11-1
