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3-(R*)-ACETOXY-7-(R*),8-(R*)-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),12-(18)-DIENE
SpectraBase Compound ID FlSS8vMbIxD
InChI InChI=1S/C22H32O4/c1-13(2)20-16-9-10-22(6)19(26-22)8-7-14(3)18(25-15(4)23)12-21(16,5)11-17(20)24/h16,18-19H,3,7-12H2,1-2,4-6H3/t16-,18+,19-,21+,22-/m1/s1
InChIKey IALLGZZKSNMRMB-JLBAHBRCSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1KPnBVooqj
Name 3-(R*)-ACETOXY-7-(R*),8-(R*)-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),12-(18)-DIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-13(2)20-16-9-10-22(6)19(26-22)8-7-14(3)18(25-15(4)23)12-21(16,5)11-17(20)24/h16,18-19H,3,7-12H2,1-2,4-6H3/t16-,18+,19-,21+,22-/m1/s1
InChIKey IALLGZZKSNMRMB-JLBAHBRCSA-N
Literature Reference Author X.WEI,A.D.RODRIGUEZ,P.BARAN,R.G.RAPTIS
Literature Reference Citation J.NAT.PROD.,73,925(2010)
Literature Reference DOI 10.1021/np100074r
Molecular Weight 360.494 g/mol
Sample ID 35558
Solvent CDCl3