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(1R*,3E,7E,9R*,11R*,12R*)-9-Acetoxydolabella-3,7-dien-12-ol

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(1R*,3E,7E,9R*,11R*,12R*)-9-Acetoxydolabella-3,7-dien-12-ol
SpectraBase Compound ID 8aQImC6sOdT
InChI InChI=1S/C22H36O3/c1-15(2)22(24)13-12-21(6)11-10-16(3)8-7-9-17(4)19(14-20(21)22)25-18(5)23/h9-10,15,19-20,24H,7-8,11-14H2,1-6H3/b16-10+,17-9+/t19-,20-,21+,22-/m1/s1
InChIKey LCCFAMBWEWEJKL-TUBDZVQBSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JliReaOvOPs
Name (1R*,3E,7E,9R*,11R*,12R*)-9-Acetoxydolabella-3,7-dien-12-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-15(2)22(24)13-12-21(6)11-10-16(3)8-7-9-17(4)19(14-20(21)22)25-18(5)23/h9-10,15,19-20,24H,7-8,11-14H2,1-6H3/b16-10+,17-9+/t19-,20-,21+,22-/m1/s1
InChIKey LCCFAMBWEWEJKL-TUBDZVQBSA-N
Molecular Weight 348.527 g/mol
SMILES [C@]12([C@@](CC[C@@]2(C\C=C\(CC\C=C\([C@@](C1)(OC(=O)C)[H])C)C)C)(C(C)C)O)[H]