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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

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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
SpectraBase Compound ID Bv3YvhKohWo
InChI InChI=1S/C20H24O6/c1-6-11(3)19(23)26-18-12(4)9-14(21)7-10(2)8-15-16(17(18)22)13(5)20(24)25-15/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7-,11-6-,12-9+/t15-,16+,17-,18-/m1/s1
InChIKey BIHIEAXOTSXYAE-NAGHFMSUSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EoLFjH0IzNS
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.157288487 u
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-6-11(3)19(23)26-18-12(4)9-14(21)7-10(2)8-15-16(17(18)22)13(5)20(24)25-15/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7-,11-6-,12-9+/t15-,16+,17-,18-/m1/s1
InChIKey BIHIEAXOTSXYAE-NAGHFMSUSA-N
Molecular Weight 360.406 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(O)[H])[H])=C)[H])C)=O)C)[H]