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[5AR-(5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-6,9A-DIMETHYL-3-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-TRIAZOLE
SpectraBase Compound ID GWHjLZh6FUj
InChI InChI=1S/C25H31N3O2/c1-24(16-29-3)13-8-14-25(2)19-15-20(30-4)22-23(18(19)11-12-21(24)25)28(27-26-22)17-9-6-5-7-10-17/h5-7,9-10,15,21H,8,11-14,16H2,1-4H3/t21?,24-,25-/m1/s1
InChIKey DDXRRKQREVOQDQ-LYWQJQBASA-N
Mol Weight 405.54 g/mol
Molecular Formula C25H31N3O2
Exact Mass 405.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zy8NtSpVC4
Name [5AR-(5A-ALPHA,6-BETA,9A-BETA)]-11-METHOXY-6-METHOXYMETHYL-6,9A-DIMETHYL-3-PHENYL-4,5,5A,6,7,8,9,9A-OCTAHYDROPHENANTHRO-[1,2-D]-TRIAZOLE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31N3O2
InChI InChI=1S/C25H31N3O2/c1-24(16-29-3)13-8-14-25(2)19-15-20(30-4)22-23(18(19)11-12-21(24)25)28(27-26-22)17-9-6-5-7-10-17/h5-7,9-10,15,21H,8,11-14,16H2,1-4H3/t21?,24-,25-/m1/s1
InChIKey DDXRRKQREVOQDQ-LYWQJQBASA-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 405.540 g/mol
Solvent Unknown
Source File Reference UWVP4711