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(1S,2S,3E,7E,11E,13S)-13-Acetoxycembra-3,7,11,15-tetraen-17,2-olide

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(1S,2S,3E,7E,11E,13S)-13-Acetoxycembra-3,7,11,15-tetraen-17,2-olide
SpectraBase Compound ID D2ZhWrzajQb
InChI InChI=1S/C22H30O4/c1-14-8-6-10-15(2)12-21-19(17(4)22(24)26-21)13-20(25-18(5)23)16(3)11-7-9-14/h8,11-12,19-21H,4,6-7,9-10,13H2,1-3,5H3/b14-8+,15-12+,16-11+
InChIKey XCKMFLVWQFOPHR-RKGBGRRTSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J943Ntse2hV
Name (1S,2S,3E,7E,11E,13S)-13-Acetoxycembra-3,7,11,15-tetraen-17,2-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-14-8-6-10-15(2)12-21-19(17(4)22(24)26-21)13-20(25-18(5)23)16(3)11-7-9-14/h8,11-12,19-21H,4,6-7,9-10,13H2,1-3,5H3/b14-8+,15-12+,16-11+
InChIKey XCKMFLVWQFOPHR-RKGBGRRTSA-N
Molecular Weight 358.478 g/mol
SMILES C1\C(=C\CC\C(=C\C2C(CC(\C(C)=C\C1)OC(C)=O)C(=C)C(O2)=O)C)C