gitoxin

Chemical Formula:

C₄₁H₆₄O₁₄

Molecular Weight:

780.948 Daltons

Monoisotopic Mass:

780.948 Daltons

InChI:

1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1

InChIKey:

LKRDZKPBAOKJBT-CNPIRKNPSA-N

Synonyms

gitoxigenin 3-O-tridigitoxoside

Databases

PubChem (CID): 91540

KEGG: C08866

ChEBI: 28503

MetaCyc: CPD-22578