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(2E,5E,7S,10S,11E,13S)-3,7,13-trimethyl-7,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,5,11-trien-1-one

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(2E,5E,7S,10S,11E,13S)-3,7,13-trimethyl-7,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,5,11-trien-1-one
SpectraBase Compound ID yNdThgXNGj
InChI InChI=1S/C20H32O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17,22-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,19-,20-/m1/s1
InChIKey CJTRMZGCYNUWEN-RVQMKAGTSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28VYgHJ3RBo
Name (2E,5E,7S,10S,11E,13S)-3,7,13-Trimethyl-7,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,5,11-trien-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.235144887 u
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17,22-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,19-,20-/m1/s1
InChIKey CJTRMZGCYNUWEN-RVQMKAGTSA-N
Molecular Weight 320.473 g/mol
SMILES [C@]1(\C=C\[C@@](CC[C@@](\C=C\C\C(=C\C(C1)=O)C)(O)C)(C(C)C)[H])(O)C