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TRACHELANTHAMINE
SpectraBase Compound ID ASmTVSf17aK
InChI InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12-,13-,15+/m0/s1
InChIKey BWQSLRZZOVFVHJ-PWNZVWSESA-N
Mol Weight 285.38 g/mol
Molecular Formula C15H27NO4
Exact Mass 285.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRe0fGKvVZA
Name Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl ester, (2R,3S)-
CAS Registry Number 68473-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H27NO4
InChI InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12-,13-,15+/m0/s1
InChIKey BWQSLRZZOVFVHJ-PWNZVWSESA-N
Molecular Weight 285.384 g/mol
SMILES O[C@]([C@@](C(OC[C@]1([C@]2(N(CCC2)CC1)[H])[H])=O)(C(C)C)O)(C)[H]
SPLASH splash10-00di-4910000000-44fda637127ec647d8e2
Source of Spectrum B-33-1362-0
Synonyms [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Wiley ID 1288891