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(3S,4R,5R,6S)-1-N-(2-Hydroxyethyl)-3,4,5,6-tetrahydroxy-4,5-isopropylideneazepane
SpectraBase Compound ID CTBR8WPlCrW
InChI InChI=1S/C11H21NO5/c1-11(2)16-9-7(14)5-12(3-4-13)6-8(15)10(9)17-11/h7-10,13-15H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey SIASQNAKVBREOJ-AXTSPUMRSA-N
Mol Weight 247.29 g/mol
Molecular Formula C11H21NO5
Exact Mass 247.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lOMvFy1R2
Name (3S,4R,5R,6S)-1-N-(2-Hydroxyethyl)-3,4,5,6-tetrahydroxy-4,5-isopropylideneazepane
Alternate Name(s) (3aR,4S,8S,8aR)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol
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Formula C11H21NO5
InChI InChI=1S/C11H21NO5/c1-11(2)16-9-7(14)5-12(3-4-13)6-8(15)10(9)17-11/h7-10,13-15H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey SIASQNAKVBREOJ-AXTSPUMRSA-N
Molecular Weight 247.291 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@](CN(C1)CCO)(O)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0002-0490000000-d93758d12ba4190ac916
Source of Spectrum Y1-38-1319-3
Wiley ID 1527908