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2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-, stereoisomer
SpectraBase Compound ID Lnvei7mfKpZ
InChI InChI=1S/C24H39NO3/c1-23(2)16-20(26)22(21(27)17-23)24(25-12-14-28-15-13-25)18-10-8-6-4-3-5-7-9-11-19(18)24/h18-19,26H,3-17H2,1-2H3/t18-,19+,24?
InChIKey XKHAEUXJDBYXJN-QRQCMCJISA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEtQUfmHSFO
Name 2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-, stereoisomer
CAS Registry Number 93126-01-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-23(2)16-20(26)22(21(27)17-23)24(25-12-14-28-15-13-25)18-10-8-6-4-3-5-7-9-11-19(18)24/h18-19,26H,3-17H2,1-2H3/t18-,19+,24?
InChIKey XKHAEUXJDBYXJN-QRQCMCJISA-N
Molecular Weight 389.580 g/mol
SMILES OC1=C(C2([C@@]3(CCCCCCCCC[C@]23[H])[H])N2CCOCC2)C(CC(C)(C)C1)=O
SPLASH splash10-0udr-5090000000-72d3bb67e2ec95254e38
Source of Spectrum K-117-2924-0
Synonyms 3-Hydroxy-5,5-dimethyl-2-(endo-12-morpholino-cis-bicyclo[9.1.0]dodec-12-yl)-2-cyclohexen-1-one 3-Hydroxy-5,5-dimethyl-2-[(1R,11S)-12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-2-cyclohexen-1-one Bicyclo[9.1.0]dodecane, 2-cyclohexen-1-one deriv.
Wiley ID 1364426