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2,4A-Epidioxy-4A,5,6,7,8,8A-hexahydro-2-[2-benzoyloxypropyl]-5,5,8A-trimethylbenzopyrane

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2,4A-Epidioxy-4A,5,6,7,8,8A-hexahydro-2-[2-benzoyloxypropyl]-5,5,8A-trimethylbenzopyrane
SpectraBase Compound ID G0ipFWNEgmv
InChI InChI=1S/C22H28O5/c1-16(24-18(23)17-9-6-5-7-10-17)15-21-13-14-22(27-26-21)19(2,3)11-8-12-20(22,4)25-21/h5-7,9-10,13-14,16H,8,11-12,15H2,1-4H3
InChIKey WYUKKHOCOCLVBS-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bRY3Pl7FpP
Name 2,4A-Epidioxy-4A,5,6,7,8,8A-hexahydro-2-[2-benzoyloxypropyl]-5,5,8A-trimethylbenzopyrane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.193673997 u
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-16(24-18(23)17-9-6-5-7-10-17)15-21-13-14-22(27-26-21)19(2,3)11-8-12-20(22,4)25-21/h5-7,9-10,13-14,16H,8,11-12,15H2,1-4H3
InChIKey WYUKKHOCOCLVBS-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES C1CC(C23C(C1)(OC(C=C3)(OO2)CC(OC(C1=CC=CC=C1)=O)C)C)(C)C