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(3aR,6S,7R,7aS)-1-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazole
SpectraBase Compound ID HT9YM1XCEMy
InChI InChI=1S/C22H27NO4/c1-23-21-19(15-27-23)14-25-20(16-24-12-17-8-4-2-5-9-17)22(21)26-13-18-10-6-3-7-11-18/h2-11,19-22H,12-16H2,1H3/t19-,20+,21+,22+/m1/s1
InChIKey FBKSEFMBDILPGU-MLNNCEHLSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhnpgXdd5Tv
Name (3aR,6S,7R,7aS)-1-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-23-21-19(15-27-23)14-25-20(16-24-12-17-8-4-2-5-9-17)22(21)26-13-18-10-6-3-7-11-18/h2-11,19-22H,12-16H2,1H3/t19-,20+,21+,22+/m1/s1
InChIKey FBKSEFMBDILPGU-MLNNCEHLSA-N
Molecular Weight 369.461 g/mol
SMILES [C@@]12([C@@](OCc3ccccc3)([C@](COCc3ccccc3)(OC[C@@]2(CON1C)[H])[H])[H])[H]
SPLASH splash10-0006-9010000000-36e352d7abc5004099ad
Source of Spectrum KC-57-1579-29
Synonyms (3aR,6S,7R,7aS)-1-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole (3aR,6S,7R,7aS)-7-benzoxy-6-(benzoxymethyl)-1-methyl-3,3a,4,6,7,7a-hexahydropyran[4,3-c]isoxazole (3aR,6S,7R,7aS)-7-benzyloxy-6-(benzyloxymethyl)-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazole
Wiley ID 1622955