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(3aS*,6aS*) [(E)-[3-(2,5,5-Trimethyl-[1,3]dioxan-2-yl)-(E)-allylidene]-6a-(4-methoxyphenoxy-methyl)-5',5'-dimethyl-3a,6a-dihydrospiro[4H-cyclopenta[b]furan-4,2'-[1.3]dioxan]-2-ol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3aS*,6aS*) [(E)-[3-(2,5,5-Trimethyl-[1,3]dioxan-2-yl)-(E)-allylidene]-6a-(4-methoxyphenoxy-methyl)-5',5'-dimethyl-3a,6a-dihydrospiro[4H-cyclopenta[b]furan-4,2'-[1.3]dioxan]-2-ol
SpectraBase Compound ID Ac5AMOsZ7au
InChI InChI=1S/C30H40O8/c1-26(2)16-34-28(5,35-17-26)13-7-8-23-24-29(38-25(23)31,20-33-22-11-9-21(32-6)10-12-22)14-15-30(24)36-18-27(3,4)19-37-30/h7-15,24-25,31H,16-20H2,1-6H3/b13-7+,23-8+/t24-,25?,29+/m0/s1
InChIKey SGCGJMNBZOFZOR-HJMKXJSTSA-N
Mol Weight 528.6 g/mol
Molecular Formula C30H40O8
Exact Mass 528.272318 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Yf9Bs5tkRm
Name (3as*,6as*) [(E)-[3-(2,5,5-Trimethyl-[1,3]dioxan-2-yl)-(E)-allylidene]-6A-(4-methoxyphenoxy-methyl)-5',5'-dimethyl-3A,6A-dihydrospiro[4H-cyclopenta[B]furan-4,2'-[1.3]dioxan]-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.272318240 u
Formula C30H40O8
InChI InChI=1S/C30H40O8/c1-26(2)16-34-28(5,35-17-26)13-7-8-23-24-29(38-25(23)31,20-33-22-11-9-21(32-6)10-12-22)14-15-30(24)36-18-27(3,4)19-37-30/h7-15,24-25,31H,16-20H2,1-6H3/b13-7+,23-8+/t24-,25?,29+/m0/s1
InChIKey SGCGJMNBZOFZOR-HJMKXJSTSA-N
Molecular Weight 528.642 g/mol
SMILES C1(COC2(C=C[C@]3(COC4=CC=C(C=C4)OC)OC(O)\C(=C\C=C\C4(OCC(C)(C)CO4)C)[C@]23[H])OC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971719