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(3aS,3a1S,9bR)-7,7-dimethyl-5-(p-tolyl)-3,3a,3a1,6,7,9b-hexahydro-1H-naphtho[1,8-bc:5,6-c']difuran-9(2H)-one
SpectraBase Compound ID 1vdqCKUL6UU
InChI InChI=1S/C22H24O3/c1-12-7-9-13(10-8-12)20-15-11-16-19(21(23)25-22(16,2)3)14-5-4-6-17(24-20)18(14)15/h7-10,14,17-18H,4-6,11H2,1-3H3/t14-,17+,18+/m1/s1
InChIKey WRAHDKFJYCNNMY-JLSDUUJJSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NXS7W1k3Sv
Name (3aS,3a1S,9bR)-7,7-dimethyl-5-(p-tolyl)-3,3a,3a1,6,7,9b-hexahydro-1H-naphtho[1,8-bc:5,6-c']difuran-9(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-12-7-9-13(10-8-12)20-15-11-16-19(21(23)25-22(16,2)3)14-5-4-6-17(24-20)18(14)15/h7-10,14,17-18H,4-6,11H2,1-3H3/t14-,17+,18+/m1/s1
InChIKey WRAHDKFJYCNNMY-JLSDUUJJSA-N
Literature Reference DOI 10.1021/ol801139b
Molecular Weight 336.431 g/mol
SMILES CC1(C)OC(C=2[C@]3([C@@]4([C@@]([H])(OC(=C4CC12)c1ccc(cc1)C)CCC3)[H])[H])=O
SPLASH splash10-014i-3904000000-d97722a9a82aa08ea483
Source of Spectrum A1-10-3283/SMS19-8g
Wiley ID 1759643