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#2;ISOPETASIN;(2Z)-(1R,2R,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL-2-METHYL-2-BUTENOIC-ACIDESTER;3-ALPHA-HYDRO

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#2;ISOPETASIN;(2Z)-(1R,2R,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL-2-METHYL-2-BUTENOIC-ACIDESTER;3-ALPHA-HYDRO
SpectraBase Compound ID GfoWz3gxV6R
InChI InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1
InChIKey OFDHBFFGRFCQOW-KSEJUSODSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eyT85hl3Ot
Name #2;ISOPETASIN;(2Z)-(1R,2R,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHYLIDENE)-6-OXO-2-NAPHTHALENYL-2-METHYL-2-BUTENOIC-ACIDESTER;3-ALPHA-HYDRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1
InChIKey OFDHBFFGRFCQOW-KSEJUSODSA-N
Literature Reference Author C.WANG,J.LI,R.YANG,Y.ZHAO,Y.CHENG,Z.ZHANG,L.HE
Literature Reference Citation REC.NAT.PROD.,8,156(2014)
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWIR15826