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[(3ar,4R,5R,6E,9Z,11Ar)-4-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11A-tetrahydro-3ah-cyclodeca[B]furan-5-yl] (Z)-2-methylbut-2-enoate, ac derivative

View entire compound with spectra: 1 NMR

[(3ar,4R,5R,6E,9Z,11Ar)-4-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11A-tetrahydro-3ah-cyclodeca[B]furan-5-yl] (Z)-2-methylbut-2-enoate, ac derivative
SpectraBase Compound ID L4l8Y7vZBgB
InChI InChI=1S/C22H26O7/c1-7-12(3)21(25)29-19-13(4)10-16(24)8-11(2)9-17-18(14(5)22(26)28-17)20(19)27-15(6)23/h7-8,10,17-20H,5,9H2,1-4,6H3/b11-8-,12-7-,13-10+/t17-,18-,19-,20-/m1/s1
InChIKey NZGSUABFUFXGRS-PXGKJLFZSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90VKBPPVQ3u
Name [(3ar,4R,5R,6E,9Z,11Ar)-4-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11A-tetrahydro-3ah-cyclodeca[B]furan-5-yl] (Z)-2-methylbut-2-enoate, ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.167853170 u
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-7-12(3)21(25)29-19-13(4)10-16(24)8-11(2)9-17-18(14(5)22(26)28-17)20(19)27-15(6)23/h7-8,10,17-20H,5,9H2,1-4,6H3/b11-8-,12-7-,13-10+/t17-,18-,19-,20-/m1/s1
InChIKey NZGSUABFUFXGRS-PXGKJLFZSA-N
Molecular Weight 402.443 g/mol
SMILES C(\C(=C/C)C)(=O)O[C@@]1(\C(=C\C(\C=C/(C[C@]2(OC(=O)C([C@]2([C@]1(OC(=O)C)[H])[H])=C)[H])C)=O)C)[H]