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Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-(2-(1,4-Dioxenyl))-5-methoxy-1,2,3,5,6,8a-hexahydroazulenyl)propenoate
SpectraBase Compound ID HmBFcX8QsrM
InChI InChI=1S/C20H26O5/c1-3-24-19(21)10-9-17-8-7-15-5-4-6-16(15)13-20(17,22-2)18-14-23-11-12-25-18/h7-8,11-15,17H,3-6,9-10H2,1-2H3/t15-,17+,20-/m0/s1
InChIKey AGVBVTDBUQIZGZ-VPWXQRGCSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 564MuSQ6PW0
Name Ethyl (E)-(5.alpha.,6.beta.,8a.alpha.)-3-(5-(2-(1,4-Dioxenyl))-5-methoxy-1,2,3,5,6,8a-hexahydroazulenyl)propenoate
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Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-3-24-19(21)10-9-17-8-7-15-5-4-6-16(15)13-20(17,22-2)18-14-23-11-12-25-18/h7-8,11-15,17H,3-6,9-10H2,1-2H3/t15-,17+,20-/m0/s1
InChIKey AGVBVTDBUQIZGZ-VPWXQRGCSA-N
Molecular Weight 346.423 g/mol
SMILES [C@@]1(C=C2[C@](CCC2)([H])C=C[C@@]1(CCC(=O)OCC)[H])(C=1OC=COC1)OC
SPLASH splash10-0006-0079000000-b70dba68f1a8e5834065
Source of Spectrum C-116-6731-5
Synonyms 3-((3aS,6S,7R)-7-[1,4]Dioxin-2-yl-7-methoxy-1,2,3,3a,6,7-hexahydro-azulen-6-yl)-propionic acid ethyl ester Ethyl 3-[(5R,8aS)-5-(1,4-dioxin-2-yl)-5-methoxy-1,2,3,5,6,8a-hexahydro-1-azulenyl]propanoate
Wiley ID 1339397