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(3aS*,6aS*) [(E)-[3-(4-Oxo-pent-2-(E)-enylidene]-6a-(4-methoxyphenoxymethyl)-5',5'-dimethyl-3a,6a-dihydrospiro[4H-cyclopenta[b]furan-4,2'-[1.3]dioxan]-2-(3H)-one

View entire compound with spectra: 1 MS (GC)

(3aS*,6aS*) [(E)-[3-(4-Oxo-pent-2-(E)-enylidene]-6a-(4-methoxyphenoxymethyl)-5',5'-dimethyl-3a,6a-dihydrospiro[4H-cyclopenta[b]furan-4,2'-[1.3]dioxan]-2-(3H)-one
SpectraBase Compound ID 1zz7CN4esJm
InChI InChI=1S/C25H28O7/c1-17(26)6-5-7-20-21-24(32-22(20)27,16-29-19-10-8-18(28-4)9-11-19)12-13-25(21)30-14-23(2,3)15-31-25/h5-13,21H,14-16H2,1-4H3/b6-5+,20-7+/t21-,24+/m0/s1
InChIKey KMOPLVCPOPZPBO-GGSZBHLVSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97xhF6BE3EQ
Name (3aS*,6aS*) [(E)-[3-(4-Oxo-pent-2-(E)-enylidene]-6a-(4-methoxyphenoxymethyl)-5',5'-dimethyl-3a,6a-dihydrospiro[4H-cyclopenta[b]furan-4,2'-[1.3]dioxan]-2-(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-17(26)6-5-7-20-21-24(32-22(20)27,16-29-19-10-8-18(28-4)9-11-19)12-13-25(21)30-14-23(2,3)15-31-25/h5-13,21H,14-16H2,1-4H3/b6-5+,20-7+/t21-,24+/m0/s1
InChIKey KMOPLVCPOPZPBO-GGSZBHLVSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199905)341_4_384
Molecular Weight 440.492 g/mol
SMILES C1(COC2(C=C[C@]3(COc4ccc(cc4)OC)OC(=O)\C(=C\C=C\C(=O)C)[C@]23[H])OC1)(C)C
SPLASH splash10-0uxr-7429200000-32bc14871dc5b5e78468
Source of Spectrum JF-341-389-19
Synonyms (3aS,6aS,E)-6a-((4-methoxyphenoxy)methyl)-5',5'-dimethyl-3-((E)-4-oxopent-2-en-1-ylidene)-3,3a-dihydrospiro[cyclopenta[b]furan-4,2'-[1,3]dioxan]-2(6aH)-one
Wiley ID 1766726