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(2x,1'S,4R,5'S,6'S)-2-(1'-ethyl-4',6',8'-trimethyl-2',9'-dioxabicyclo[3.3.1]nona-3',7'-dien-3'-yl)-4,6-dimethylnon-6-en-3-one

View entire compound with spectra: 1 MS (GC)

(2x,1'S,4R,5'S,6'S)-2-(1'-ethyl-4',6',8'-trimethyl-2',9'-dioxabicyclo[3.3.1]nona-3',7'-dien-3'-yl)-4,6-dimethylnon-6-en-3-one
SpectraBase Compound ID BPr8a5rXbmL
InChI InChI=1S/C23H36O3/c1-9-11-14(3)12-15(4)20(24)18(7)22-19(8)21-16(5)13-17(6)23(10-2,25-21)26-22/h11,13,15-16,18,21H,9-10,12H2,1-8H3/b14-11+/t15-,16+,18?,21+,23?/m1/s1
InChIKey NXFSSBOUIVVCNL-PYYSPESISA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUUrxqcA8sK
Name (2x,1'S,4R,5'S,6'S)-2-(1'-ethyl-4',6',8'-trimethyl-2',9'-dioxabicyclo[3.3.1]nona-3',7'-dien-3'-yl)-4,6-dimethylnon-6-en-3-one
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Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-9-11-14(3)12-15(4)20(24)18(7)22-19(8)21-16(5)13-17(6)23(10-2,25-21)26-22/h11,13,15-16,18,21H,9-10,12H2,1-8H3/b14-11+/t15-,16+,18?,21+,23?/m1/s1
InChIKey NXFSSBOUIVVCNL-PYYSPESISA-N
Molecular Weight 360.538 g/mol
SMILES C1(=C([C@@]2([C@@](C)(C=C(C(O1)(O2)CC)C)[H])[H])C)C(C([C@@](C\C(=C\CC)C)(C)[H])=O)C
SPLASH splash10-000i-2900000000-4d8aa55f8dbec64597a5
Source of Spectrum B-47-2255-0
Synonyms (4R,6E)-2-[(5S,6S)-1-ethyl-4,6,8-trimethyl-2,9-dioxabicyclo[3.3.1]nona-3,7-dien-3-yl]-4,6-dimethyl-6-nonen-3-one
Wiley ID 1348667