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[(1R,4E,8R,9E,11S)-1,4,8-trimethyl-8-oxidanyl-2-oxidanylidene-11-propan-2-yl-cyclotrideca-4,9-dien-1-yl]methyl ethanoate
SpectraBase Compound ID CDGJyrVZbpd
InChI InChI=1S/C22H36O4/c1-16(2)19-9-12-21(5,15-26-18(4)23)20(24)14-17(3)8-7-11-22(6,25)13-10-19/h8,10,13,16,19,25H,7,9,11-12,14-15H2,1-6H3/b13-10+,17-8+/t19-,21-,22-/m1/s1
InChIKey BHSGVCGSYDQSIG-WTHLIIFUSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HOwtj6eFvE
Name [(1R,4E,8R,9E,11S)-1,4,8-trimethyl-8-oxidanyl-2-oxidanylidene-11-propan-2-yl-cyclotrideca-4,9-dien-1-yl]methyl ethanoate
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Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-16(2)19-9-12-21(5,15-26-18(4)23)20(24)14-17(3)8-7-11-22(6,25)13-10-19/h8,10,13,16,19,25H,7,9,11-12,14-15H2,1-6H3/b13-10+,17-8+/t19-,21-,22-/m1/s1
InChIKey BHSGVCGSYDQSIG-WTHLIIFUSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@]1(\C=C\[C@@](CC[C@@](C(C\C(=C\CC1)C)=O)(COC(=O)C)C)(C(C)C)[H])C
SPLASH splash10-0089-9800000000-def70de02248184ad3fc
Source of Spectrum F-51-5295-2
Synonyms [(1R,4E,8R,9E,11S)-8-hydroxy-1,4,8-trimethyl-2-oxo-11-propan-2-ylcyclotrideca-4,9-dien-1-yl]methyl acetate [(1R,4E,8R,9E,11S)-8-hydroxy-11-isopropyl-1,4,8-trimethyl-2-oxo-cyclotrideca-4,9-dien-1-yl]methyl acetate Acetic acid [(1R,4E,8R,9E,11S)-8-hydroxy-1,4,8-trimethyl-2-oxo-11-propan-2-yl-1-cyclotrideca-4,9-dienyl]methyl ester
Wiley ID 791998