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(1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
SpectraBase Compound ID AM8nn3XMWvP
InChI InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
InChIKey DNAWGBOKUFFVMB-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C15H25NO6
Exact Mass 315.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kOwhUA4z03
Name (1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
CAS Registry Number 41708-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO6
InChI InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
InChIKey DNAWGBOKUFFVMB-UHFFFAOYSA-N
Molecular Weight 315.366 g/mol
SMILES OC1CCN2(C1C(COC(C(C(C)C)(C(C)O)O)=O)=CC2)=O
SPLASH splash10-000f-9600000000-60fd9a1dd855502d9299
Source of Spectrum NP-10-9438-0
Synonyms Indi Indicine N-oxide 2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate (4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate NSC-132,319
Wiley ID 1109273