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(2R,4aR,6S,7S,8R,8aR)-6-benzyl-2-phenyl-7,8-dipropoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SpectraBase Compound ID 4LsQnAIMQXs
InChI InChI=1S/C26H34O5/c1-3-15-27-23-21(17-19-11-7-5-8-12-19)30-22-18-29-26(20-13-9-6-10-14-20)31-24(22)25(23)28-16-4-2/h5-14,21-26H,3-4,15-18H2,1-2H3/t21-,22+,23-,24+,25+,26+/m0/s1
InChIKey RDXKBXLQGQNEGG-OMTFQZPVSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O5
Exact Mass 426.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNhwcWZ3iau
Name (2R,4aR,6S,7S,8R,8aR)-6-benzyl-2-phenyl-7,8-dipropoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
Appearance White crystalline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-3-15-27-23-21(17-19-11-7-5-8-12-19)30-22-18-29-26(20-13-9-6-10-14-20)31-24(22)25(23)28-16-4-2/h5-14,21-26H,3-4,15-18H2,1-2H3/t21-,22+,23-,24+,25+,26+/m0/s1
InChIKey RDXKBXLQGQNEGG-OMTFQZPVSA-N
Ionization Type EI
Molecular Weight 426.553 g/mol
Optical Rotation [a]D20 = - 41.4, -127.6 (365 nm) (c = 1.02, chloroform)
SMILES [C@@]1([C@]([C@]2([C@](O[C@]1(Cc1ccccc1)[H])(CO[C@](O2)(c1ccccc1)[H])[H])[H])(OCCC)[H])(OCCC)[H]
SPLASH splash10-0006-9310000000-c2a0fe5c330ed24603e1
Source of Spectrum CA2512713C
Thin-Layer Chromatography Rf = 0.25 (pentane/ether, 9:1)
Wiley ID 1844505