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(+-)-2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-methano ABA (2-[(4-Carboxy-3-methyl)buta-1,3-dienyl]-2-hydroxy-1,3,3-trimethylbicyclo[4.1.0]heptan-5-one isomer)

View entire compound with spectra: 2 MS (GC)

(+-)-2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-methano ABA (2-[(4-Carboxy-3-methyl)buta-1,3-dienyl]-2-hydroxy-1,3,3-trimethylbicyclo[4.1.0]heptan-5-one isomer)
SpectraBase Compound ID 6BIwWq96mJe
InChI InChI=1S/C16H22O4/c1-10(7-13(18)19)5-6-16(20)14(2,3)9-12(17)11-8-15(11,16)4/h5-7,11,20H,8-9H2,1-4H3,(H,18,19)/b6-5+,10-7+
InChIKey AGQVXVBJROIHJH-WEYXYWBQSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBHRQAlcWs6
Name (+-)-2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-methano ABA (2-[(4-Carboxy-3-methyl)buta-1,3-dienyl]-2-hydroxy-1,3,3-trimethylbicyclo[4.1.0]heptan-5-one isomer)
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-10(7-13(18)19)5-6-16(20)14(2,3)9-12(17)11-8-15(11,16)4/h5-7,11,20H,8-9H2,1-4H3,(H,18,19)/b6-5+,10-7+
InChIKey AGQVXVBJROIHJH-WEYXYWBQSA-N
Molecular Weight 278.348 g/mol
SMILES OC(\C=C\(\C=C\C1(C2(C(C(=O)CC1(C)C)C2)C)O)C)=O
SPLASH splash10-01w0-0910000000-e2107d12b15a2ccd0c4f
Source of Spectrum F-52-8095-10
Synonyms (+-)-2'.beta.,3'.beta.-Dihydro-2'.beta.,3'.beta.-methano ABA (2-[(4-Carboxy-3-methyl)buta-1,3-dienyl]-2-hydroxy-1,3,3-trimethylbicyclo[4.1.0]heptan-5-one isomer)
Wiley ID 796936