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(4R,5S,9S)-1,11-seco-Oxomorelian-2,10-dien-9,1-olide
SpectraBase Compound ID 6yOD3TQr96t
InChI InChI=1S/C15H18O3/c1-8-5-12(17)18-15-7-11(16)14(3,4)10(13(8)15)6-9(15)2/h5-6,10,13H,7H2,1-4H3/t10-,13-,15+/m0/s1
InChIKey SKOSAXXPYQEBDM-VZJVUDMVSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqNugOr5ky1
Name (4R,5S,9S)-1,11-seco-Oxomorelian-2,10-dien-9,1-olide
Appearance White powder
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8-5-12(17)18-15-7-11(16)14(3,4)10(13(8)15)6-9(15)2/h5-6,10,13H,7H2,1-4H3/t10-,13-,15+/m0/s1
InChIKey SKOSAXXPYQEBDM-VZJVUDMVSA-N
Instrument Name Hewlett-Packard 5930A
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00041
Molecular Weight 246.306 g/mol
Reported Formula C15H18O3
SMILES C1([C@]2(C=C([C@]3(CC1=O)[C@]2(C(=CC(O3)=O)C)[H])C)[H])(C)C
SPLASH splash10-03dj-2920000000-719a348c0b274193a1ba
Source of Spectrum G4-80-SM21-3
Wiley ID 1867606