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Heliotrine
SpectraBase Compound ID 5b3XNWlFUI
InChI InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3
InChIKey LMFKRLGHEKVMNT-UHFFFAOYSA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7PX0nEabXD
Name Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1.alpha.,7(2R*,3S*),7a.alpha.]]-
CAS Registry Number 303-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3
InChIKey LMFKRLGHEKVMNT-UHFFFAOYSA-N
Molecular Weight 313.394 g/mol
SMILES OC(C(OCC=1C2N(CCC2O)CC1)=O)(C(OC)C)C(C)C
SPLASH splash10-000l-7900000000-8f42a8304549019f9d9a
Source of Spectrum CD-190-0-0
Synonyms (1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-isopropyl-3-methoxybutanoate (+)-Heliotrine (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate (7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-(1-methoxyethyl)-3-methyl-2-oxidanyl-butanoate 2-Hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester 2-Hydroxy-2-isopropyl-3-methoxy-butyric acid (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester 7S-heliotrine 9-Heliotrylheliotridine Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1 alpha,7(2R*,3S*),7a alpha))- Heliotrine Heliotron AI3-51769 BRN 0292841
Wiley ID 1314194