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(1R,6R,7R,8S,8aR)-1,6,7,8-Tetrahydroxyindolizidine[(-)-1,6,8-triepicastanospermine]
SpectraBase Compound ID BSD7Tn17Hye
InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8+/m1/s1
InChIKey JDVVGAQPNNXQDW-PVFLNQBWSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YSl4Ek4qLC
Name (1R,6R,7R,8S,8aR)-1,6,7,8-Tetrahydroxyindolizidine[(-)-1,6,8-triepicastanospermine]
Alternate Name(s) (1R,6R,7R,8S,8aR)-octahydro-1,6,7,8-indolizinetetrol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8+/m1/s1
InChIKey JDVVGAQPNNXQDW-PVFLNQBWSA-N
Molecular Weight 189.211 g/mol
SMILES O[C@@]1([C@@]([C@@](CN2[C@@]1([C@@](CC2)(O)[H])[H])(O)[H])(O)[H])[H]
SPLASH splash10-0002-0900000000-c651584a20de9624243e
Source of Spectrum J-57-1109-1
Wiley ID 1185476