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(1R,2S,5S,6S,7S)-(4E,8Z)-5-(7-Carbomethoxyheptyl)-4-(pent-2-yn-1-ylidene)-3-oxotricyclo[5.2.1.0(2,6)]dec-8-ene
SpectraBase Compound ID IjER0cl9zbI
InChI InChI=1S/C24H32O3/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/h12,14-15,17-19,22-23H,3,5-7,9-11,13,16H2,1-2H3/b20-12+/t17-,18+,19-,22+,23+/m1/s1
InChIKey YTZVOXCSRFRFSH-NWRNTXFMSA-N
Mol Weight 368.5 g/mol
Molecular Formula C24H32O3
Exact Mass 368.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ENAIKCyNRM
Name (1R,2S,5S,6S,7S)-(4E,8Z)-5-(7-Carbomethoxyheptyl)-4-(pent-2-yn-1-ylidene)-3-oxotricyclo[5.2.1.0(2,6)]dec-8-ene
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Formula C24H32O3
InChI InChI=1S/C24H32O3/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/h12,14-15,17-19,22-23H,3,5-7,9-11,13,16H2,1-2H3/b20-12+/t17-,18+,19-,22+,23+/m1/s1
InChIKey YTZVOXCSRFRFSH-NWRNTXFMSA-N
Molecular Weight 368.517 g/mol
SMILES C1([C@@]2([C@]([C@]3(C[C@@]2(C=C3)[H])[H])([H])[C@@](\C1=C\C#CCC)(CCCCCCCC(=O)OC)[H])[H])=O
SPLASH splash10-0v4i-0359000000-3e0dbf3a0ac64598ede6
Source of Spectrum F-50-12345-11
Synonyms (4E,8Z)-5-(7-Carbomethoxyheptyl)-4-(pent-2-yn-1-ylidene)-3-oxotricyclo[5.2.1.0(2,6)]dec-8-ene 8-[(1S,3aS,4R,7S,7aS)-3-Oxo-2-pent-2-yn-(E)-ylidene-2,3,3a,4,7,7a-hexahydro-1H-4,7-methano-inden-1-yl]-octanoic acid methyl ester Methyl 8-[(1S,2S,3S,4E,6S,7R)-5-oxo-4-(2-pentynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-3-yl]octanoate
Wiley ID 789819