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1H-Cyclopent[c]isoxazole-4,5,6-triol, 1-acetylhexahydro-, triacetate (ester), [3aR-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)]-
SpectraBase Compound ID 6oYnrWXNzWj
InChI InChI=1S/C36H37NO7/c1-26(38)40-25-31-32(37-36(39)44-30-20-12-5-13-21-30)34(42-23-28-16-8-3-9-17-28)35(43-24-29-18-10-4-11-19-29)33(31)41-22-27-14-6-2-7-15-27/h2-21,31-35H,22-25H2,1H3,(H,37,39)
InChIKey KLPOWGNOGIJEDK-UHFFFAOYSA-N
Mol Weight 595.7 g/mol
Molecular Formula C36H37NO7
Exact Mass 595.257003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEtrZsq9jt7
Name 1H-Cyclopent[c]isoxazole-4,5,6-triol, 1-acetylhexahydro-, triacetate (ester), [3aR-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)]-
Alternate Name(s) (1L)-(1,2,4/3,5)-1-acetoxymethyl-3,4,5-tri-O-benzyl-2-(phenoxycarbonyl)amino-3,4,5-cyclopentantriol {2,3,4-tris(benzyloxy)-5-[(phenoxycarbonyl)amino]cyclopentyl}methyl acetate
CAS Registry Number 73111-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H37NO7
InChI InChI=1S/C36H37NO7/c1-26(38)40-25-31-32(37-36(39)44-30-20-12-5-13-21-30)34(42-23-28-16-8-3-9-17-28)35(43-24-29-18-10-4-11-19-29)33(31)41-22-27-14-6-2-7-15-27/h2-21,31-35H,22-25H2,1H3,(H,37,39)
InChIKey KLPOWGNOGIJEDK-UHFFFAOYSA-N
Molecular Weight 595.692 g/mol
SMILES N(C(Oc1ccccc1)=O)C1C(C(C(OCc2ccccc2)C1OCc1ccccc1)OCc1ccccc1)COC(=O)C
SPLASH splash10-0006-9000000000-ee39dfdbaed6d61009cb
Source of Spectrum H-62-2012-0
Wiley ID 1409770