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[3aS-[3a.alpha.,6.alpha.(1R*,2R*),7.beta.,7a.alpha.]]-1-[7-(Acetyloxy)hexahydro-1-methyl-3H-pyrano[4,3-c]isoxazol-6-yl]-1,2,3-propanetriol triacetate

View entire compound with spectra: 1 MS (GC)

[3aS-[3a.alpha.,6.alpha.(1R*,2R*),7.beta.,7a.alpha.]]-1-[7-(Acetyloxy)hexahydro-1-methyl-3H-pyrano[4,3-c]isoxazol-6-yl]-1,2,3-propanetriol triacetate
SpectraBase Compound ID 5ksTkiRgpPe
InChI InChI=1S/C18H27NO10/c1-9(20)24-8-14(27-10(2)21)16(28-11(3)22)18-17(29-12(4)23)15-13(6-25-18)7-26-19(15)5/h13-18H,6-8H2,1-5H3/t13-,14+,15+,16+,17-,18+/m0/s1
InChIKey DVHIZEZLBADDHT-UIGZQWRCSA-N
Mol Weight 417.41 g/mol
Molecular Formula C18H27NO10
Exact Mass 417.163496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36rB7XosYuA
Name [3aS-[3a.alpha.,6.alpha.(1R*,2R*),7.beta.,7a.alpha.]]-1-[7-(Acetyloxy)hexahydro-1-methyl-3H-pyrano[4,3-c]isoxazol-6-yl]-1,2,3-propanetriol triacetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO10
InChI InChI=1S/C18H27NO10/c1-9(20)24-8-14(27-10(2)21)16(28-11(3)22)18-17(29-12(4)23)15-13(6-25-18)7-26-19(15)5/h13-18H,6-8H2,1-5H3/t13-,14+,15+,16+,17-,18+/m0/s1
InChIKey DVHIZEZLBADDHT-UIGZQWRCSA-N
Molecular Weight 417.411 g/mol
SMILES [C@@]1([C@@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC[C@@]2([C@]1(N(OC2)C)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-0006-9000000000-96cc2b64ceb7342efda0
Source of Spectrum KC-57-1577-17
Synonyms (1R,2R)-2-[(3aS,6S,7S,7aR)-7-(acetyloxy)-1-methylhexahydro-3H-pyrano[4,3-c]isoxazol-6-yl]-2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate acetic acid[(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetoxy-1-methyl-3,3a,4,6,7,7a-hexahydropyran[4,3-c]isoxazol-6-yl]-2,3-diacetoxy-propyl]ester acetic acid[(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazol-6-yl]-2,3-diacetyloxypropyl]ester [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetoxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazol-6-yl]-2,3-diacetoxy-propyl]acetate [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-6-yl]-2,3-diacetyloxy-propyl]ethanoate [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-6-yl]-2,3-diacetyloxypropyl]acetate acetic acid [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazol-6-yl]-2,3-diacetyloxypropyl] ester [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-6-yl]-2,3-diacetyloxypropyl] acetate [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetoxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c]isoxazol-6-yl]-2,3-diacetoxy-propyl] acetate [(2R,3R)-3-[(3aS,6S,7S,7aR)-7-acetyloxy-1-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-6-yl]-2,3-diacetyloxy-propyl] ethanoate
Wiley ID 1622962