[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
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![[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f0026fa47766418cbd4f87461067899a.png "[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate")
[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
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CAS No:
26607-98-7
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Formula:
C18H29NO6
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Chemical Name:
[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
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Synonyms:
Acetylheliotrine;7-Acetylheliotrine;26607-98-7;HELIOTRINE, 7-ACETATE;BRN 1504595;(1-(Acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate (1S-(1alpha,7(R*(S*)),7aalpha))-;DTXSID80949448;Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (1S-(1alpha,7(R*(S*)),7aalpha))-;[1-(Acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
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CAS No:
[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate Basic Attributes
355.4 g/mol
355.19948764 g/mol
Computed Properties
Molecular Weight:355.4
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:355.19948764
Monoisotopic Mass:355.19948764
Topological Polar Surface Area:85.3
Heavy Atom Count:25
Complexity:546
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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