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14-S-BROMO-1-S-HYDROXY-1,2,13,14-TETRAHYDROSPHAEROCOCCENOL_A
SpectraBase Compound ID 54G4IKcnh8A
InChI InChI=1S/C20H32Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h11-14,16-17,23,25H,5-10H2,1-4H3/t12-,13-,14-,16-,17-,18+,19+,20-/m0/s1
InChIKey BIVHKSWAKLEJQJ-HYYVFGQNSA-N
Mol Weight 480.3 g/mol
Molecular Formula C20H32Br2O3
Exact Mass 478.071821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmFpD0vQ1Yd
Name 14-S-BROMO-1-S-HYDROXY-1,2,13,14-TETRAHYDROSPHAEROCOCCENOL_A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32Br2O3
InChI InChI=1S/C20H32Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h11-14,16-17,23,25H,5-10H2,1-4H3/t12-,13-,14-,16-,17-,18+,19+,20-/m0/s1
InChIKey BIVHKSWAKLEJQJ-HYYVFGQNSA-N
Literature Reference Author V.SMYRNIOTOPOULOS,C.VAGIAS,M.M.RAHMAN,S.GIBBONS,V.ROUSSIS
Literature Reference Citation J.NAT.PROD.,71,1386(2008)
Literature Reference DOI 10.1021/np8001817
Molecular Weight 480.280 g/mol
Sample ID 28468
Solvent CDCl3