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DIPLOPHYLLOLIDE A-A
SpectraBase Compound ID HRtS9rLZfp
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15-/m1/s1
InChIKey PQRAHHQIYITFCT-QVHKTLOISA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGuccmJO2pK
Name (3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
CAS Registry Number 64395-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15-/m1/s1
InChIKey PQRAHHQIYITFCT-QVHKTLOISA-N
Molecular Weight 232.323 g/mol
SMILES C1(C([C@]2(C[C@]3(C(=CCC[C@@]3(C[C@]2(O1)[H])C)C)[H])[H])=C)=O
SPLASH splash10-0006-9110000000-cf6c23bcac72a48edd8c
Source of Spectrum F-48-5272-2
Synonyms (3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one Isoalloalantolactone
Wiley ID 1234288