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Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-(3,4-Dihydro-(2H)-pyran-1-yl)-5-methoxy-1,2,3,5,6,8a-hexahydroazulen-6-yl)propenoate

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Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-(3,4-Dihydro-(2H)-pyran-1-yl)-5-methoxy-1,2,3,5,6,8a-hexahydroazulen-6-yl)propenoate
SpectraBase Compound ID 99oHJn5dh68
InChI InChI=1S/C21H26O4/c1-3-24-20(22)13-12-18-11-10-16-7-6-8-17(16)15-21(18,23-2)19-9-4-5-14-25-19/h4-5,9-16,18-19H,3,6-8H2,1-2H3/b13-12+/t16-,18-,19?,21-/m0/s1
InChIKey BCSSUEBYSIGPIG-QKRCJZQUSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI7DLGFTVv8
Name Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-(3,4-Dihydro-(2H)-pyran-1-yl)-5-methoxy-1,2,3,5,6,8a-hexahydroazulen-6-yl)propenoate
Alternate Name(s) Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-((2H)-pyran-2-yl)-5-methoxy-1,2,3,5,6,8a-hexahydroazulen-6-yl)propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-3-24-20(22)13-12-18-11-10-16-7-6-8-17(16)15-21(18,23-2)19-9-4-5-14-25-19/h4-5,9-16,18-19H,3,6-8H2,1-2H3/b13-12+/t16-,18-,19?,21-/m0/s1
InChIKey BCSSUEBYSIGPIG-QKRCJZQUSA-N
Molecular Weight 342.435 g/mol
SMILES C=1[C@]([C@@](C=C[C@]2(C1CCC2)[H])(\C=C\C(=O)OCC)[H])(C1OC=CC=C1)OC
SPLASH splash10-01p6-0049000000-6aee0d2c21e95b424a0c
Source of Spectrum C-116-6731-5
Wiley ID 1336814