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OTH-488 / IME / Isocholesteryl methyl ether |
Name: 3-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Formula: C28H48O
Molar mass: 400.687 Da
Monoisotopic mass: 400.371 Da
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)C)C
InChI Key: RCXPTZJNVLDKKV-UHFFFAOYSA-N
InChI: 1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3
Typical retention indexes:
- ECL on BPX70: 29.875
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |