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4E-3-(7-Methoxycarbonylheptyl)-3-hydroxy-4-(pent-2-ynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-5-one
SpectraBase Compound ID 24YYGNhKYu3
InChI InChI=1S/C24H32O4/c1-3-4-8-11-19-23(26)21-17-13-14-18(16-17)22(21)24(19,27)15-10-7-5-6-9-12-20(25)28-2/h11,13-14,17-18,21-22,27H,3,5-7,9-10,12,15-16H2,1-2H3/b19-11-/t17-,18+,21-,22+,24-/m0/s1
InChIKey RUFFTFYPQVRYKC-DFBMZYOUSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vofbvHzyJE
Name 4E-3-(7-Methoxycarbonylheptyl)-3-hydroxy-4-(pent-2-ynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-5-one
Alternate Name(s) 8-[(1R,3aS,4R,7S,7aR)-1-Hydroxy-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-[(4E)-3-hydroxy-5-oxo-4-(2-pentynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-3-yl]octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-3-4-8-11-19-23(26)21-17-13-14-18(16-17)22(21)24(19,27)15-10-7-5-6-9-12-20(25)28-2/h11,13-14,17-18,21-22,27H,3,5-7,9-10,12,15-16H2,1-2H3/b19-11-/t17-,18+,21-,22+,24-/m0/s1
InChIKey RUFFTFYPQVRYKC-DFBMZYOUSA-N
Molecular Weight 384.516 g/mol
SMILES O[C@]1(\C(C([C@]2([C@]3(C=C[C@@]([C@@]12[H])(C3)[H])[H])[H])=O)=C/C#CCC)CCCCCCCC(=O)OC
SPLASH splash10-03di-0901000000-e98a815b0ca35659ef7b
Source of Spectrum F-54-12567-23
Wiley ID 809361