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(2R,4aR,12aS)-2-(4-Methoxyphenyl)-4a,7,8,9,12,12a-hexahydrooxecino[10,9-e]-1,3-dioxin-6-one
SpectraBase Compound ID 5QWI0vMxaEJ
InChI InChI=1S/C18H22O5/c1-20-14-10-8-13(9-11-14)18-21-12-16-15(23-18)6-4-2-3-5-7-17(19)22-16/h2,4,8-11,15-16,18H,3,5-7,12H2,1H3/b4-2-/t15-,16+,18+/m0/s1
InChIKey AIVKVLULFBUTAX-HTADIDKQSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mSbiKeqYrw
Name (2R,4aR,12aS)-2-(4-Methoxyphenyl)-4a,7,8,9,12,12a-hexahydrooxecino[10,9-e]-1,3-dioxin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-20-14-10-8-13(9-11-14)18-21-12-16-15(23-18)6-4-2-3-5-7-17(19)22-16/h2,4,8-11,15-16,18H,3,5-7,12H2,1H3/b4-2-/t15-,16+,18+/m0/s1
InChIKey AIVKVLULFBUTAX-HTADIDKQSA-N
Literature Reference DOI 10.1002_1615-4169(200208)344_6-7_657
Molecular Weight 318.369 g/mol
SMILES [C@]1(O[C@@]2([C@](CO1)([H])OC(CCC\C=C/C2)=O)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-00n0-2902000000-fd24d10b79a6beca9b8f
Source of Spectrum ASC-344-660-11
Synonyms (2R,4aR,12aS,Z)-2-(4-methoxyphenyl)-4,4a,8,9,12,12a-hexahydro-[1,3]dioxino[5,4-b]oxecin-6(7H)-one
Wiley ID 1767287