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(1R,2S,4R,5S,6S,7S)-5-(7-Carbomethoxyheptyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
SpectraBase Compound ID 2Ikmjd1SffG
InChI InChI=1S/C24H34O3/c1-3-4-8-12-20-19(11-9-6-5-7-10-13-21(25)27-2)22-17-14-15-18(16-17)23(22)24(20)26/h14-15,17-20,22-23H,3,5-7,9-13,16H2,1-2H3/t17-,18+,19-,20-,22+,23+/m1/s1
InChIKey LOUALPKVACKLTI-KLNNNFBISA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI00VS0qoUO
Name (1R,2S,4R,5S,6S,7S)-5-(7-Carbomethoxyheptyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
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Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-3-4-8-12-20-19(11-9-6-5-7-10-13-21(25)27-2)22-17-14-15-18(16-17)23(22)24(20)26/h14-15,17-20,22-23H,3,5-7,9-13,16H2,1-2H3/t17-,18+,19-,20-,22+,23+/m1/s1
InChIKey LOUALPKVACKLTI-KLNNNFBISA-N
Molecular Weight 370.533 g/mol
SMILES [C@@]12(C([C@](CC#CCC)([C@]([C@@]2([C@]2(C[C@@]1(C=C2)[H])[H])[H])(CCCCCCCC(=O)OC)[H])[H])=O)[H]
SPLASH splash10-0aor-5339000000-59968d15de251f993884
Source of Spectrum F-51-177-7
Synonyms 8-((1S,2R,3aS,4R,7S,7aS)-3-Oxo-2-pent-2-ynyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methano-inden-1-yl)-octanoic acid methyl ester Methyl 8-[(1S,2S,3S,4R,6S,7R)-5-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-en-3-yl]octanoate trans-5-(7-Carbomethoxyheptyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
Wiley ID 790454