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PHENANTHRO-[1,2-B]-OXIRENE-4-CARBOXYLIC-ACID-TETRADECAHYDRO-4,7A-DIMETHYL-9A-(1-METHYLETHYL)-2-OXO-METHYLESTER
SpectraBase Compound ID 5rdF2AEr4QZ
InChI InChI=1S/C21H32O4/c1-12(2)21-10-7-13-16(17(21)25-21)14(22)11-15-19(13,3)8-6-9-20(15,4)18(23)24-5/h12-13,15-17H,6-11H2,1-5H3/t13-,15+,16-,17+,19+,20+,21+/m0/s1
InChIKey WLTIENFJNTVIFW-MLFNRDSKSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0EZ8MFzPFP
Name PHENANTHRO-[1,2-B]-OXIRENE-4-CARBOXYLIC-ACID-TETRADECAHYDRO-4,7A-DIMETHYL-9A-(1-METHYLETHYL)-2-OXO-METHYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-12(2)21-10-7-13-16(17(21)25-21)14(22)11-15-19(13,3)8-6-9-20(15,4)18(23)24-5/h12-13,15-17H,6-11H2,1-5H3/t13-,15+,16-,17+,19+,20+,21+/m0/s1
InChIKey WLTIENFJNTVIFW-MLFNRDSKSA-N
Literature Reference Author M.E.AMATO,F.P.BALLISTRERI,A.PAPPALARDO,G.A.TOMASELLI,R.M.TOS CANO,G.T.SFRAZZETTO
Literature Reference Citation MOLECULES,18,13754(2013)
Literature Reference DOI 10.3390/molecules181113754
Molecular Weight 348.483 g/mol
Solvent CDCl3
Source File Reference UWIR9882