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(2R,4aR,6S,7S,8R,8aR)-7,8-diisopropoxy-2,6-diphenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

View entire compound with spectra: 1 MS (GC)

(2R,4aR,6S,7S,8R,8aR)-7,8-diisopropoxy-2,6-diphenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SpectraBase Compound ID 7FJlxaYvFNL
InChI InChI=1S/C25H32O5/c1-16(2)27-23-21(18-11-7-5-8-12-18)29-20-15-26-25(19-13-9-6-10-14-19)30-22(20)24(23)28-17(3)4/h5-14,16-17,20-25H,15H2,1-4H3/t20-,21+,22-,23+,24+,25-/m1/s1
InChIKey GQVKHDNYPJNZGK-PROFCWERSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dz4CCeM6Mcp
Name (2R,4aR,6S,7S,8R,8aR)-7,8-diisopropoxy-2,6-diphenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-16(2)27-23-21(18-11-7-5-8-12-18)29-20-15-26-25(19-13-9-6-10-14-19)30-22(20)24(23)28-17(3)4/h5-14,16-17,20-25H,15H2,1-4H3/t20-,21+,22-,23+,24+,25-/m1/s1
InChIKey GQVKHDNYPJNZGK-PROFCWERSA-N
Ionization Type EI
Molecular Weight 412.526 g/mol
Optical Rotation [a]D20 = -31.02 (c = 1.100, CHC13)
SMILES [C@@]1([C@]([C@]2([C@](O[C@]1(c1ccccc1)[H])(CO[C@](O2)(c1ccccc1)[H])[H])[H])(OC(C)C)[H])(OC(C)C)[H]
SPLASH splash10-052g-6900000000-2093045b1591ba7bcb83
Source of Spectrum CA2512713C
Thin-Layer Chromatography Rf = 0.22 (pentane/CH2C12/ether, 50:50:1)
Wiley ID 1844507