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Diethyl (1R,3R,7aR)-1-methyl-1,3-diphenyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate
SpectraBase Compound ID Al2NF9XDIvd
InChI InChI=1S/C30H34O5/c1-6-33-27(31)30(28(32)34-7-2)18-23-24(19-30)29(5,22-16-12-9-13-17-22)35-26(25(23)20(3)4)21-14-10-8-11-15-21/h8-17,24,26H,3,6-7,18-19H2,1-2,4-5H3/t24-,26-,29+/m1/s1
InChIKey UGSQOEGQNFXEQU-YPZXTKLSSA-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 7aFCnRUqK9L
Name Diethyl (1R,3R,7aR)-1-methyl-1,3-diphenyl-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(5,22-16-12-9-13-17-22)35-26(25(23)20(3)4)21-14-10-8-11-15-21/h8-17,24,26H,3,6-7,18-19H2,1-2,4-5H3/t24-,26-,29+/m1/s1
InChIKey UGSQOEGQNFXEQU-YPZXTKLSSA-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 5
Reported Formula C30H34O5
SMILES C(OC(=O)C1(CC=2[C@]([C@@](O[C@@](C2C(=C)C)(C2=CC=CC=C2)[H])(C2=CC=CC=C2)C)(C1)[H])C(=O)OCC)C
SPLASH splash10-0zn9-0966000000-c8f20efffb407cc0c79a
Source of Spectrum QE-21-SM14-8 (DOI: 10.1002/chem.201500181)
Thin-Layer Chromatography 0.55 (Hex/EtOAc, 5:1)
Wiley ID 1906447