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Echantine

View entire compound with spectra: 28 NMR, and 3 MS (GC)

Echantine
SpectraBase Compound ID 59eQTt7SOak
InChI InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
InChIKey SFVVQRJOGUKCEG-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C15H25NO5
Exact Mass 299.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vk8y6XCgw7
Name Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1.alpha.,7(2R*,3R*),7a.alpha.]]-
CAS Registry Number 480-83-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO5
InChI InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
InChIKey SFVVQRJOGUKCEG-UHFFFAOYSA-N
Molecular Weight 299.367 g/mol
SMILES OC(C(C(OCC=1C2N(CCC2O)CC1)=O)(C(C)C)O)C
SPLASH splash10-000i-0900000000-ce24550627bef057b195
Source of Spectrum KC-1988-1166-3
Synonyms (1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate Echinatine (7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester Lycopsamine 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(2R,3S),7a-alpha))- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1.alpha.,7(2R,3S),7a.alpha.))- AI3-51768 NSC 89937
Wiley ID 1301873