INDICINE-N-OXIDE;[1R-[1-ALPHA,7-(2R*,3S*),7-ALPHA-BETA]]-2,3-DIHYDROXY-2-(1-METHYLETHYL)-BUTANOIC-ACID-(2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	4x77vA3tp3b
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/t10-,12+,13+,15+,16?/m0/s1
InChIKey	DNAWGBOKUFFVMB-PZIGJSDBSA-N Google Search
Mol Weight	315.37 g/mol
Molecular Formula	C15H25NO6
Exact Mass	315.168188 g/mol

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SpectraBase Spectrum ID	DSLjzSzZiuk
Name	[(7R,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate
Alternate Name(s)	[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
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/t10-,12+,13+,15+,16?/m0/s1
InChIKey	DNAWGBOKUFFVMB-PZIGJSDBSA-N
Molecular Weight	315.366 g/mol
SMILES	O[C@]([C@@](C(OCC=1[C@]2([N+](CC1)([O-])CC[C@]2(O)[H])[H])=O)(C(C)C)O)(C)[H]
SPLASH	splash10-00kr-0900000000-3eeac943522a0247fd3c
Source of Spectrum	F-49-1577-1
Wiley ID	1315893