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(7E,9E)-(5aS,11aS)-3,3,5a-Trimethyl-1-oxo-2,3,4,5a,6,11,11a,12-octahydro-1H-5-oxa-cycloocta[b]naphthalene-8,9-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6ePUH8hjHGA
InChI InChI=1S/C22H28O6/c1-21(2)11-17(23)16-10-13-6-7-14(19(24)26-4)15(20(25)27-5)8-9-22(13,3)28-18(16)12-21/h7-8,13H,6,9-12H2,1-5H3/b14-7+,15-8+/t13-,22-/m0/s1
InChIKey XFIVJBXNFIDGPP-WIUZQBSOSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKBzNSe8FUK
Name (7E,9E)-(5aS,11aS)-3,3,5a-Trimethyl-1-oxo-2,3,4,5a,6,11,11a,12-octahydro-1H-5-oxa-cycloocta[b]naphthalene-8,9-dicarboxylic acid dimethyl ester
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Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-21(2)11-17(23)16-10-13-6-7-14(19(24)26-4)15(20(25)27-5)8-9-22(13,3)28-18(16)12-21/h7-8,13H,6,9-12H2,1-5H3/b14-7+,15-8+/t13-,22-/m0/s1
InChIKey XFIVJBXNFIDGPP-WIUZQBSOSA-N
Molecular Weight 388.460 g/mol
SMILES C12=C(O[C@@]3([C@](C2)(C\C=C\(C(=O)OC)\C(=C/C3)C(=O)OC)[H])C)CC(CC1=O)(C)C
SPLASH splash10-069v-2934000000-5e5733a9e248f5d35fcf
Source of Spectrum F4-43-977-6b
Synonyms Dimethyl (7E,9E)-3,3,5a-Trimethyl-1-oxo-2,3,4,5a,6,11,11a,12-octahydro-1H-cycloocta[b]chromene-8,9-dicarboxylate
Wiley ID 1675584