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Diethyl (3R,7aR)-3-(4-hydroxyphenyl)-1,1-dimethyl-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate

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Diethyl (3R,7aR)-3-(4-hydroxyphenyl)-1,1-dimethyl-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID 9bzEoLt3bTg
InChI InChI=1S/C25H32O6/c1-7-29-22(27)25(23(28)30-8-2)13-18-19(14-25)24(5,6)31-21(20(18)15(3)4)16-9-11-17(26)12-10-16/h9-12,19,21,26H,3,7-8,13-14H2,1-2,4-6H3/t19-,21-/m1/s1
InChIKey XOOGISHHPLFXGX-TZIWHRDSSA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H32O6
Exact Mass 428.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pPCCAe7jwg
Name Diethyl (3R,7aR)-3-(4-hydroxyphenyl)-1,1-dimethyl-4-(prop-1-en-2-yl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.219888744 u
Formula C25H32O6
InChI InChI=1S/C25H32O6/c1-7-29-22(27)25(23(28)30-8-2)13-18-19(14-25)24(5,6)31-21(20(18)15(3)4)16-9-11-17(26)12-10-16/h9-12,19,21,26H,3,7-8,13-14H2,1-2,4-6H3/t19-,21-/m1/s1
InChIKey XOOGISHHPLFXGX-TZIWHRDSSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 428.525 g/mol
Quality 85
Reported Formula C25H32O6
SMILES OC1=CC=C([C@]2(OC([C@]3(C(CC(C(OCC)=O)(C3)C(=O)OCC)=C2C(=C)C)[H])(C)C)[H])C=C1
SPLASH splash10-00di-0934500000-1fdd42e9dde0c7610898
Source of Spectrum QE-21-SM7-6b (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.11 (Hex/EtOAc, 5:1)
Wiley ID 1906436