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(Z)-5-[(4R,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile

View entire compound with spectra: 1 NMR

(Z)-5-[(4R,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile
SpectraBase Compound ID IpgjooeMK6T
InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20-,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey PIKMPFHAGPWQAM-QPCQJECTSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvLvxlBhzO2
Name (Z)-5-[(4R,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20-,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey PIKMPFHAGPWQAM-QPCQJECTSA-N
Literature Reference Author H.PENG,W.XIE,D.M.OTTERNESS,J.P.COGSWELL,R.T.M.CONNELL,H.L.CA RTER,G.POWIS,R.T.ABR
Literature Reference Citation J.MED.CHEM.,44,834(2001)
Literature Reference DOI 10.1021/jm0004401
Molecular Weight 413.644 g/mol
Sample ID 40870
Solvent CDCl3