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[(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate

View entire compound with spectra: 1 NMR

[(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate
SpectraBase Compound ID KuOcsSMUS5t
InChI InChI=1S/C20H28O7/c1-6-12(4)19(24)26-15-9-14(10-22)17(23)18(16(15)11(2)3)27-20(25)13(5)7-8-21/h6-7,9,11,15-16,18,21-22H,8,10H2,1-5H3/b12-6-,13-7+/t15-,16-,18+/m0/s1
InChIKey CARMWCSYOJNGRD-FFPTXMBDSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AguwPt5H4x9
Name [(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.183503235 u
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-6-12(4)19(24)26-15-9-14(10-22)17(23)18(16(15)11(2)3)27-20(25)13(5)7-8-21/h6-7,9,11,15-16,18,21-22H,8,10H2,1-5H3/b12-6-,13-7+/t15-,16-,18+/m0/s1
InChIKey CARMWCSYOJNGRD-FFPTXMBDSA-N
Molecular Weight 380.437 g/mol
SMILES C(O)C=1C(=O)[C@@]([C@@](C(C)C)([C@@](OC(\C(C)=C/C)=O)(C1)[H])[H])(OC(\C(C)=C\CO)=O)[H]