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(1'R,2'S,5'R,3aS*,8bS*)-Menthyl 2,3,3a,8b-tetrahydro-7-hydroxy-2-oxofuro[3,2-b]benzofuran-8-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1'R,2'S,5'R,3aS*,8bS*)-Menthyl 2,3,3a,8b-tetrahydro-7-hydroxy-2-oxofuro[3,2-b]benzofuran-8-carboxylate
SpectraBase Compound ID Cepes4JjDcy
InChI InChI=1S/C21H26O6/c1-10(2)12-5-4-11(3)8-15(12)26-21(24)18-13(22)6-7-14-19(18)20-16(25-14)9-17(23)27-20/h6-7,10-12,15-16,20,22H,4-5,8-9H2,1-3H3/t11-,12+,15-,16+,20-/m1/s1
InChIKey VRYUXCRMQMUPHQ-PNTISFBMSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dPetNhGH4c
Name (1'R,2'S,5'R,3as*,8bs*)-Menthyl 2,3,3A,8B-tetrahydro-7-hydroxy-2-oxofuro[3,2-B]benzofuran-8-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.172938551 u
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-10(2)12-5-4-11(3)8-15(12)26-21(24)18-13(22)6-7-14-19(18)20-16(25-14)9-17(23)27-20/h6-7,10-12,15-16,20,22H,4-5,8-9H2,1-3H3/t11-,12+,15-,16+,20-/m1/s1
InChIKey VRYUXCRMQMUPHQ-PNTISFBMSA-N
Molecular Weight 374.433 g/mol
SMILES C12=C(C(O[C@]3([C@@](CC[C@](C3)(C)[H])(C(C)C)[H])[H])=O)C(O)=CC=C1O[C@@]1([C@]2(OC(=O)C1)[H])[H]