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13-ACETOXY-6-ALPHA-BROMO-TOTARA-8,11,13-TRIEN-7-ONE

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13-ACETOXY-6-ALPHA-BROMO-TOTARA-8,11,13-TRIEN-7-ONE
SpectraBase Compound ID 5w82pR0QdcB
InChI InChI=1S/C22H29BrO3/c1-12(2)16-15(26-13(3)24)9-8-14-17(16)19(25)18(23)20-21(4,5)10-7-11-22(14,20)6/h8-9,12,18,20H,7,10-11H2,1-6H3/t18-,20-,22+/m0/s1
InChIKey DCFJACXVVQDREV-RCZSKKKRSA-N
Mol Weight 421.38 g/mol
Molecular Formula C22H29BrO3
Exact Mass 420.130008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZ8b64kwbgk
Name 13-ACETOXY-6-ALPHA-BROMO-TOTARA-8,11,13-TRIEN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29BrO3
InChI InChI=1S/C22H29BrO3/c1-12(2)16-15(26-13(3)24)9-8-14-17(16)19(25)18(23)20-21(4,5)10-7-11-22(14,20)6/h8-9,12,18,20H,7,10-11H2,1-6H3/t18-,20-,22+/m0/s1
InChIKey DCFJACXVVQDREV-RCZSKKKRSA-N
Literature Reference Author G.B.EVANS,R.H.FURNEAUX,G.J.GAINSFORD,M.P.MURPHY
Literature Reference Citation BIOORG.MED.CHEM.,8,1663(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00096-1
Molecular Weight 421.374 g/mol
Solvent CDCl3
Source File Reference UWVN20322