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[(4R,4aR,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-(3-phenylselanylpropyl)-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]methyl 2,2-dimethylpropanoate

View entire compound with spectra: 1 MS (GC)

[(4R,4aR,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-(3-phenylselanylpropyl)-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]methyl 2,2-dimethylpropanoate
SpectraBase Compound ID G0dPB2OebdT
InChI InChI=1S/C25H38O6Se/c1-24(2,3)23(26)28-15-18-20-21(30-16-29-18)22(27-6)25(4,5)19(31-20)13-10-14-32-17-11-8-7-9-12-17/h7-9,11-12,18-22H,10,13-16H2,1-6H3/t18-,19-,20-,21+,22-/m1/s1
InChIKey YHXSRCNCVQXNTG-CSEOROSGSA-N
Mol Weight 513.5 g/mol
Molecular Formula C25H38O6Se
Exact Mass 514.183361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6H3fkE92f71
Name [(4R,4aR,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-(3-phenylselanylpropyl)-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]methyl 2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O6Se
InChI InChI=1S/C25H38O6Se/c1-24(2,3)23(26)28-15-18-20-21(30-16-29-18)22(27-6)25(4,5)19(31-20)13-10-14-32-17-11-8-7-9-12-17/h7-9,11-12,18-22H,10,13-16H2,1-6H3/t18-,19-,20-,21+,22-/m1/s1
InChIKey YHXSRCNCVQXNTG-CSEOROSGSA-N
Molecular Weight 513.545 g/mol
SMILES [C@@]12([C@@]([C@@](OC)(C([C@](O2)(CCC[Se]c2ccccc2)[H])(C)C)[H])(OCO[C@@]1(COC(C(C)(C)C)=O)[H])[H])[H]
SPLASH splash10-0229-9411020000-c46132f9435bc92ad1a7
Source of Spectrum KC-0-2371-47
Synonyms 2,2-Dimethylpropanoic acid [(4R,4aR,6R,8S,8aR)-8-methoxy-7,7-dimethyl-6-[3-(phenylseleno)propyl]-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]methyl ester
Wiley ID 831416