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OTH-475 / Stigmastan-3,5,22-trien / Stigmastan-3,5,22-trien |
Name: 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
Formula: C29H46
Molar mass: 394.682 Da
Monoisotopic mass: 394.360 Da
SMILES: CCC(/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
InChI Key: NGUVUCVJXSBIEN-VAWYXSNFSA-N
InChI: 1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11+
Typical retention indexes:
- ECL on BPX70: 28.523
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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. |