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(1S,2E,4R,6R,7E,11Z,13.xi.)-6-Acetoxy-2,7,11-cembratriene-4,13-diol

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(1S,2E,4R,6R,7E,11Z,13.xi.)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
SpectraBase Compound ID GRHsr2oS9qZ
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21?,22-/m0/s1
InChIKey CLLDSYFHQCFUQA-KRZCGAHHSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WRtffOIrSh
Name (1S,2E,4R,6R,7E,11Z,13.xi.)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21?,22-/m0/s1
InChIKey CLLDSYFHQCFUQA-KRZCGAHHSA-N
Molecular Weight 364.526 g/mol
SMILES [C@@]1(\C=C\[C@@](C[C@](\C=C\(CC\C=C\(C(C1)O)C)C)(OC(=O)C)[H])(O)C)(C(C)C)[H]