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35;1,2-[5AR-(3-PSI,5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-2,6,9A-TRIMETHYL-1-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-(1H)-ISOXAZ

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35;1,2-[5AR-(3-PSI,5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-2,6,9A-TRIMETHYL-1-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-(1H)-ISOXAZ
SpectraBase Compound ID DtcEja1ISf1
InChI InChI=1S/2C27H35NO3/c2*1-26(17-29-4)14-9-15-27(2)20-16-21(30-5)25-23(19(20)12-13-22(26)27)24(28(3)31-25)18-10-7-6-8-11-18/h2*6-8,10-11,16,22,24H,9,12-15,17H2,1-5H3/t22?,24-,26+,27+;22?,24-,26-,27-/m00/s1
InChIKey VNAOHAWYRRRQMU-QZHLRGCISA-N
Mol Weight 843.2 g/mol
Molecular Formula C54H70N2O6
Exact Mass 842.523388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVVFfJpvH2g
Name 35;1,2-[5AR-(3-PSI,5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-2,6,9A-TRIMETHYL-1-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-(1H)-ISOXAZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H70N2O6
InChI InChI=1S/2C27H35NO3/c2*1-26(17-29-4)14-9-15-27(2)20-16-21(30-5)25-23(19(20)12-13-22(26)27)24(28(3)31-25)18-10-7-6-8-11-18/h2*6-8,10-11,16,22,24H,9,12-15,17H2,1-5H3/t22?,24-,26+,27+;22?,24-,26-,27-/m00/s1
InChIKey VNAOHAWYRRRQMU-QZHLRGCISA-N
Literature Reference Author R.C.CAMBIE,P.I.HIGGS,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,47,1815(1994)
Literature Reference DOI 10.1071/ch9941815
Molecular Weight 843.160 g/mol
Solvent Unknown
Source File Reference UWVP4719