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(1S,2S,3R,4R,5R,4'S)-5-Benzyloxy-2-benzyloxymethyl-1-methoxymethoxy-4-methyl-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)bicxyclo[2.2.2]octane

View entire compound with spectra: 1 MS (GC)

(1S,2S,3R,4R,5R,4'S)-5-Benzyloxy-2-benzyloxymethyl-1-methoxymethoxy-4-methyl-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)bicxyclo[2.2.2]octane
SpectraBase Compound ID 7ab111ZxBJo
InChI InChI=1S/C31H42O6/c1-29(2)35-21-26(37-29)28-25(20-33-18-23-11-7-5-8-12-23)31(36-22-32-4)16-15-30(28,3)27(17-31)34-19-24-13-9-6-10-14-24/h5-14,25-28H,15-22H2,1-4H3/t25-,26-,27-,28+,30+,31+/m1/s1
InChIKey CWSQPXNPYRNOSU-OMSHBDCPSA-N
Mol Weight 510.7 g/mol
Molecular Formula C31H42O6
Exact Mass 510.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNUbl69f8bf
Name (1S,2S,3R,4R,5R,4'S)-5-Benzyloxy-2-benzyloxymethyl-1-methoxymethoxy-4-methyl-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)bicxyclo[2.2.2]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42O6
InChI InChI=1S/C31H42O6/c1-29(2)35-21-26(37-29)28-25(20-33-18-23-11-7-5-8-12-23)31(36-22-32-4)16-15-30(28,3)27(17-31)34-19-24-13-9-6-10-14-24/h5-14,25-28H,15-22H2,1-4H3/t25-,26-,27-,28+,30+,31+/m1/s1
InChIKey CWSQPXNPYRNOSU-OMSHBDCPSA-N
Molecular Weight 510.671 g/mol
SMILES [C@@]12([C@@]([C@](COCc3ccccc3)([H])[C@@](CC1)(OCOC)C[C@]2(OCc1ccccc1)[H])([C@@]1(OC(C)(C)OC1)[H])[H])C
SPLASH splash10-0a4i-0009000000-8d76248ccbd906df0005
Source of Spectrum F-50-672-13
Synonyms (4S)-4-[(1R,2R,3S,4S,6R)-6-(benzyloxy)-3-[(benzyloxy)methyl]-4-(methoxymethoxy)-1-methylbicyclo[2.2.2]oct-2-yl]-2,2-dimethyl-1,3-dioxolane
Wiley ID 1400576