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Diethyl (3R,7aR)-1,1-dimethyl-3-phenyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID 5CCZ5vaHC4P
InChI InChI=1S/C30H34O5/c1-6-33-27(31)30(28(32)34-7-2)18-23-24(19-30)29(4,5)35-26(22-16-12-9-13-17-22)25(23)20(3)21-14-10-8-11-15-21/h8-17,24,26H,3,6-7,18-19H2,1-2,4-5H3/t24-,26-/m1/s1
InChIKey KIRHNQYHRDTZHE-AOYPEHQESA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4C6qA9qGXI
Name Diethyl (3R,7aR)-1,1-dimethyl-3-phenyl-4-(1-phenylvinyl)-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 474.240624190 u
Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-6-33-27(31)30(28(32)34-7-2)18-23-24(19-30)29(4,5)35-26(22-16-12-9-13-17-22)25(23)20(3)21-14-10-8-11-15-21/h8-17,24,26H,3,6-7,18-19H2,1-2,4-5H3/t24-,26-/m1/s1
InChIKey KIRHNQYHRDTZHE-AOYPEHQESA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500181
Molecular Weight 474.597 g/mol
Quality 156
Reported Formula C30H34O5
SMILES C(OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C2=CC=CC=C2)(C2=CC=CC=C2)[H])(C)C)(C1)[H])C(=O)OCC)C
SPLASH splash10-01bc-1943800000-db3695c26a533d7f0931
Source of Spectrum QE-21-SM12-6j (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.49 (Hex/EtOAc, 5:1)
Wiley ID 1906443