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(2R,3S,4R,4aR,4bR,5S,9aR)-3,4-Diacetoxy-2-(acetoxymethyl)-5-tert-butoxy-octahydro-2H-pyrano[3,2-d]pyrrolo[1,2-b]isoxazole

View entire compound with spectra: 1 MS (GC)

(2R,3S,4R,4aR,4bR,5S,9aR)-3,4-Diacetoxy-2-(acetoxymethyl)-5-tert-butoxy-octahydro-2H-pyrano[3,2-d]pyrrolo[1,2-b]isoxazole
SpectraBase Compound ID JHa76HK6NOH
InChI InChI=1S/C20H31NO9/c1-10(22)25-9-14-17(26-11(2)23)18(27-12(3)24)15-16-13(29-20(4,5)6)7-8-21(16)30-19(15)28-14/h13-19H,7-9H2,1-6H3/t13-,14+,15+,16-,17+,18+,19+/m0/s1
InChIKey JZEYBDKMONMBCU-XTZSBGGHSA-N
Mol Weight 429.47 g/mol
Molecular Formula C20H31NO9
Exact Mass 429.199882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SdeBXjbd92
Name (2R,3S,4R,4aR,4bR,5S,9aR)-3,4-Diacetoxy-2-(acetoxymethyl)-5-tert-butoxy-octahydro-2H-pyrano[3,2-d]pyrrolo[1,2-b]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO9
InChI InChI=1S/C20H31NO9/c1-10(22)25-9-14-17(26-11(2)23)18(27-12(3)24)15-16-13(29-20(4,5)6)7-8-21(16)30-19(15)28-14/h13-19H,7-9H2,1-6H3/t13-,14+,15+,16-,17+,18+,19+/m0/s1
InChIKey JZEYBDKMONMBCU-XTZSBGGHSA-N
Molecular Weight 429.466 g/mol
SMILES [C@@]12([C@@](ON3[C@]2([C@@](OC(C)(C)C)(CC3)[H])[H])(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H]
SPLASH splash10-0a7i-9300000000-af81dea471900183170a
Source of Spectrum J-63-7316-22
Synonyms (2R,3S,4R,4aR,4bR,5S,9aR)-3-(acetyloxy)-2-[(acetyloxy)methyl]-5-tert-butoxyoctahydro-2H-pyrano[3,2-d]pyrrolo[1,2-b]isoxazol-4-yl acetate
Wiley ID 1381126