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6-Formyl-5-ethoxy-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl 2'-Methyl-2'-butenoate
SpectraBase Compound ID EncbIUpQ6F1
InChI InChI=1S/C22H28O7/c1-5-13(3)21(25)29-20-18-14(4)22(26)28-17(18)10-15(11-23)8-7-9-16(12-24)19(20)27-6-2/h5,7-8,10,12,16-20,23H,4,6,9,11H2,1-3H3/b8-7-,13-5+,15-10+
InChIKey PFIXRMWXFMLRTM-VCNDZXPCSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMEJVUj6exC
Name 6-Formyl-5-ethoxy-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl 2'-Methyl-2'-butenoate
Alternate Name(s) 5-Ethoxy-6-formyl-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,6,7,11a-octahydrocyclodeca[b]furan-4-yl (2E)-2-methyl-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-5-13(3)21(25)29-20-18-14(4)22(26)28-17(18)10-15(11-23)8-7-9-16(12-24)19(20)27-6-2/h5,7-8,10,12,16-20,23H,4,6,9,11H2,1-3H3/b8-7-,13-5+,15-10+
InChIKey PFIXRMWXFMLRTM-VCNDZXPCSA-N
Molecular Weight 404.459 g/mol
SMILES OC\C1=C\C2C(C(OC(\C(=C\C)C)=O)C(C(C=O)C\C=C/1)OCC)C(C(=O)O2)=C
SPLASH splash10-053r-9010000000-b856cba1d62f1b5a7394
Source of Spectrum C-88-169-6
Wiley ID 1590096