3-oxo-24-ethyl-cholest-4-en-26-oate
Chemical Formula:
C29H45O3
Molecular Weight:
441.673 Daltons
Monoisotopic Mass:
442.34469534289997 Daltons
SMILES:
CCC(CCC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))C)C(C)C([O-])=O
InChI:
1S/C29H46O3/c1-6-20(19(3)27(31)32)8-7-18(2)24-11-12-25-23-10-9-21-17-22(30)13-15-28(21,4)26(23)14-16-29(24,25)5/h17-20,23-26H,6-16H2,1-5H3,(H,31,32)/p-1/t18-,19?,20-,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13803
PubChem (CID):
90657651
Seed:
cpd24054
MetaNetX:
MNXM10081