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[(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, acetate

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[(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, acetate
SpectraBase Compound ID CchHCxoWL0R
InChI InChI=1S/C19H26O7/c1-7-11(4)19(23)26-15-8-14(9-24-12(5)20)17(22)18(25-13(6)21)16(15)10(2)3/h7-8,10,15-16,18H,9H2,1-6H3/b11-7+/t15-,16-,18+/m0/s1
InChIKey WZIMVSVGXVVVLQ-FCOHEEAHSA-N
Mol Weight 366.41 g/mol
Molecular Formula C19H26O7
Exact Mass 366.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW9BZIFlU3p
Name [(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.167853170 u
Formula C19H26O7
InChI InChI=1S/C19H26O7/c1-7-11(4)19(23)26-15-8-14(9-24-12(5)20)17(22)18(25-13(6)21)16(15)10(2)3/h7-8,10,15-16,18H,9H2,1-6H3/b11-7+/t15-,16-,18+/m0/s1
InChIKey WZIMVSVGXVVVLQ-FCOHEEAHSA-N
Molecular Weight 366.410 g/mol
SMILES [C@]1(C(C(=C[C@@]([C@@]1(C(C)C)[H])(OC(\C(=C\C)C)=O)[H])COC(=O)C)=O)(OC(=O)C)[H]