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(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,13.alpha.)-Dimethyl 11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,13.alpha.)-Dimethyl 11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxylate
SpectraBase Compound ID BKk5gjz1XON
InChI InChI=1S/C20H22O5/c1-23-19(21)17-11-5-6-12(18(17)20(22)24-2)16-10-4-3-9(15(11)16)13-7-25-8-14(10)13/h3-6,9-16H,7-8H2,1-2H3/t9-,10-,11-,12-,13-,14+,15-,16+/m1/s1
InChIKey KBKUOOMMEPROBJ-STLXHVAGSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57YM6N1dVNO
Name (1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,13.alpha.)-Dimethyl 11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-23-19(21)17-11-5-6-12(18(17)20(22)24-2)16-10-4-3-9(15(11)16)13-7-25-8-14(10)13/h3-6,9-16H,7-8H2,1-2H3/t9-,10-,11-,12-,13-,14+,15-,16+/m1/s1
InChIKey KBKUOOMMEPROBJ-STLXHVAGSA-N
Molecular Weight 342.391 g/mol
SMILES C1(=C([C@@]2(C=C[C@@]1([C@@]1([C@]2([C@]2([C@]3([C@@]([C@]1(C=C2)[H])(COC3)[H])[H])[H])[H])[H])[H])[H])C(=O)OC)C(=O)OC
SPLASH splash10-03di-0901000000-b1f7bd9a9283f8c13e29
Source of Spectrum J-64-7263-6
Synonyms dimethyl 11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-triene-4,5-dicarboxylate
Wiley ID 1531048