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[(4S)-4-Acetyloxy-5-(5-acetyloxypentan-2-yl)-3-methylidene-2-oxo-3A,4,7,7A-tetrahydro-1-benzofuran-6-yl]methyl 2-methylpropanoate

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[(4S)-4-Acetyloxy-5-(5-acetyloxypentan-2-yl)-3-methylidene-2-oxo-3A,4,7,7A-tetrahydro-1-benzofuran-6-yl]methyl 2-methylpropanoate
SpectraBase Compound ID nJd5UkhyP1
InChI InChI=1S/C23H32O8/c1-12(2)22(26)29-11-17-10-18-20(14(4)23(27)31-18)21(30-16(6)25)19(17)13(3)8-7-9-28-15(5)24/h12-13,18,20-21H,4,7-11H2,1-3,5-6H3/t13?,18?,20?,21-/m1/s1
InChIKey AAHSTEUFCXJGIV-DUBKMGCZSA-N
Mol Weight 436.5 g/mol
Molecular Formula C23H32O8
Exact Mass 436.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TKh5IyoETK
Name [(4S)-4-Acetyloxy-5-(5-acetyloxypentan-2-yl)-3-methylidene-2-oxo-3A,4,7,7A-tetrahydro-1-benzofuran-6-yl]methyl 2-methylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.209717982 u
Formula C23H32O8
InChI InChI=1S/C23H32O8/c1-12(2)22(26)29-11-17-10-18-20(14(4)23(27)31-18)21(30-16(6)25)19(17)13(3)8-7-9-28-15(5)24/h12-13,18,20-21H,4,7-11H2,1-3,5-6H3/t13?,18?,20?,21-/m1/s1
InChIKey AAHSTEUFCXJGIV-DUBKMGCZSA-N
Molecular Weight 436.501 g/mol
SMILES C12[C@@](C(=C(CC2OC(C1=C)=O)COC(=O)C(C)C)C(CCCOC(=O)C)C)(OC(=O)C)[H]