(1R,6S,7R,8R,8aR)-1-Butyryloxy-6,7,8-trihydroxyindolizidine[(-)-1-O-Butyryl-1-epicastanospermine]

SpectraBase Compound ID	JJ7a2vtuysZ
InChI	InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-4-5-13-6-7(14)11(16)12(17)10(8)13/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8+,10+,11+,12+/m0/s1
InChIKey	MIANLSLDYWCVDY-RULNCXCMSA-N Google Search
Mol Weight	259.3 g/mol
Molecular Formula	C12H21NO5
Exact Mass	259.141973 g/mol

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SpectraBase Spectrum ID	J1na1jkjqSl
Name	(1R,6S,7R,8R,8aR)-1-Butyryloxy-6,7,8-trihydroxyindolizidine[(-)-1-O-Butyryl-1-epicastanospermine]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H21NO5
InChI	InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-4-5-13-6-7(14)11(16)12(17)10(8)13/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8+,10+,11+,12+/m0/s1
InChIKey	MIANLSLDYWCVDY-RULNCXCMSA-N
Molecular Weight	259.302 g/mol
SMILES	O[C@]1([C@@]([C@](CN2[C@@]1([C@@](CC2)(OC(=O)CCC)[H])[H])(O)[H])(O)[H])[H]
SPLASH	splash10-00di-5900000000-308aa07915371cc0a681
Source of Spectrum	J-58-59-5
Synonyms	(1R,6S,7R,8R,8aS)-6,7,8-trihydroxyoctahydro-1-indolizinyl butyrate Butanoic acid[(1R,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]ester Butyric acid[(1R,6S,7R,8R,8aS)-6,7,8-trihydroxyindolizidin-1-yl]ester [(1R,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]butanoate [(1R,6S,7R,8R,8aS)-6,7,8-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]butanoate Butanoic acid [(1R,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ester [(1R,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] butanoate [(1R,6S,7R,8R,8aS)-6,7,8-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] butanoate
Wiley ID	1262593