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3a,9a-Ethano-1H-cyclopentacyclooctene-10-carboxylic acid, 2,3,4,5,8,9-hexahydro-3-oxo-, methyl ester, (3a.alpha.,6Z,9a.alpha.,10S*)-

View entire compound with spectra: 2 MS (GC)

3a,9a-Ethano-1H-cyclopentacyclooctene-10-carboxylic acid, 2,3,4,5,8,9-hexahydro-3-oxo-, methyl ester, (3a.alpha.,6Z,9a.alpha.,10S*)-
SpectraBase Compound ID Akqqf7pJgHz
InChI InChI=1S/C15H20O3/c1-18-13(17)11-10-14-7-4-2-3-5-8-15(11,14)12(16)6-9-14/h2-3,11H,4-10H2,1H3/b3-2-/t11?,14-,15+/m0/s1
InChIKey OUXXZDTYVWIJNA-KORNWPGASA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kytgovk3udJ
Name 3a,9a-Ethano-1H-cyclopentacyclooctene-10-carboxylic acid, 2,3,4,5,8,9-hexahydro-3-oxo-, methyl ester, (3a.alpha.,6Z,9a.alpha.,10S*)-
CAS Registry Number 106212-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-18-13(17)11-10-14-7-4-2-3-5-8-15(11,14)12(16)6-9-14/h2-3,11H,4-10H2,1H3/b3-2-/t11?,14-,15+/m0/s1
InChIKey OUXXZDTYVWIJNA-KORNWPGASA-N
Molecular Weight 248.322 g/mol
SMILES [C@@]123[C@](CCC3=O)(CC\C=C/CC1)CC2C(=O)OC
SPLASH splash10-001i-2900000000-5c563b16c146d8bc334a
Source of Spectrum C-109-1143-14
Synonyms 3a,9a-Ethano-1H-cyclopentacyclooctene-10-carboxylic acid, 2,3,4,5,8,9-hexahydro-3-oxo-, methyl ester, (3a.alpha.,6Z,9a.alpha.,10R*)- endo-12-(methoxycarbonyl)[6.3.2]propell-4-en-9-one exo-12-(methoxycarbonyl)[6.3.2]propell-4-en-9-one Methyl (1S,4Z,8S)-11-oxotricyclo[6.3.2.0(1,8)]tridec-4-ene-12-carboxylate
Wiley ID 1251331