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(3ar,4R,5as,6S,9ar,9bs)-4,6-Dihydroxy-5A,9-dimethyl-3-methylidene-4,5,6,7,9A,9B-hexahydro-3ah-benzo[G][1]benzofuran-2-one

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(3ar,4R,5as,6S,9ar,9bs)-4,6-Dihydroxy-5A,9-dimethyl-3-methylidene-4,5,6,7,9A,9B-hexahydro-3ah-benzo[G][1]benzofuran-2-one
SpectraBase Compound ID 52cd70aTCnB
InChI InChI=1S/C15H20O4/c1-7-4-5-10(17)15(3)6-9(16)11-8(2)14(18)19-13(11)12(7)15/h4,9-13,16-17H,2,5-6H2,1,3H3/t9-,10+,11-,12+,13-,15-/m1/s1
InChIKey WFAAGXPGVHXCKA-RGOPTCMMSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DywPdy5t2t
Name (3ar,4R,5as,6S,9ar,9bs)-4,6-Dihydroxy-5A,9-dimethyl-3-methylidene-4,5,6,7,9A,9B-hexahydro-3ah-benzo[G][1]benzofuran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-7-4-5-10(17)15(3)6-9(16)11-8(2)14(18)19-13(11)12(7)15/h4,9-13,16-17H,2,5-6H2,1,3H3/t9-,10+,11-,12+,13-,15-/m1/s1
InChIKey WFAAGXPGVHXCKA-RGOPTCMMSA-N
Molecular Weight 264.321 g/mol
SMILES [C@]12([H])[C@@]3([H])[C@]([C@@](O)(CC=C3C)[H])(C)C[C@]([C@@]1([H])C(=C)C(=O)O2)(O)[H]