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(E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid, 2me derivative

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(E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid, 2me derivative
SpectraBase Compound ID 1XVsQRGuCJf
InChI InChI=1S/C24H36O6/c1-16(26)30-15-17(12-21(27)29-6)8-9-19-18(14-25)13-20(28-5)22-23(2,3)10-7-11-24(19,22)4/h12-14,19-20,22H,7-11,15H2,1-6H3/b17-12+
InChIKey VTBNMBPJGSFBKR-SFQUDFHCSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvnoQpIJrYS
Name (E)-3-(Acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid, 2me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.251188873 u
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-16(26)30-15-17(12-21(27)29-6)8-9-19-18(14-25)13-20(28-5)22-23(2,3)10-7-11-24(19,22)4/h12-14,19-20,22H,7-11,15H2,1-6H3/b17-12+
InChIKey VTBNMBPJGSFBKR-SFQUDFHCSA-N
Molecular Weight 420.546 g/mol
SMILES COC(=O)\C=C\(COC(C)=O)CCC1C2(C)C(C(C)(C)CCC2)C(OC)C=C1C=O