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[3aR-(3aR*,4R*(E),6E,10E,11R*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester of 2-[(acetoxy)methyl]-2-butenoic acid
SpectraBase Compound ID EWo9Lt1Eos6
InChI InChI=1S/C22H28O6/c1-6-17(12-26-16(5)23)22(25)28-19-11-14(3)9-7-8-13(2)10-18-20(19)15(4)21(24)27-18/h6,9-10,18-20H,4,7-8,11-12H2,1-3,5H3/b13-10-,14-9-,17-6+/t18-,19-,20-/m1/s1
InChIKey XSSVQBRBIVEDFV-PWPKDODWSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jN4k3G7h6V
Name [3aR-(3aR*,4R*(E),6E,10E,11R*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester of 2-[(acetoxy)methyl]-2-butenoic acid
Alternate Name(s) (3aS,4R,11aR)-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-2-butenoate
CAS Registry Number 70550-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-6-17(12-26-16(5)23)22(25)28-19-11-14(3)9-7-8-13(2)10-18-20(19)15(4)21(24)27-18/h6,9-10,18-20H,4,7-8,11-12H2,1-3,5H3/b13-10-,14-9-,17-6+/t18-,19-,20-/m1/s1
InChIKey XSSVQBRBIVEDFV-PWPKDODWSA-N
Molecular Weight 388.460 g/mol
SMILES C1(C([C@]2([C@](OC(\C(COC(=O)C)=C\C)=O)(C\C(=C/CC\C(=C/[C@]2(O1)[H])C)C)[H])[H])=C)=O
SPLASH splash10-001i-9220000000-f8477e289a24921a1708
Source of Spectrum J-44-2787-0
Wiley ID 1363857