Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)-
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![Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/93d3bba2bedd4c8e98b02e5bee3f7f41.png "Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)-")
Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)-
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CAS No:
14933-88-1
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Formula:
C18H29NO4
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Chemical Name:
Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)-
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Synonyms:
Butanoic acid,3-methyl-,2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester,(1R-trans)-;Retronecine,diisovalerate (ester);Retronecine,diisovaleryl-;Isovaleric acid,diester with retronecine;Retronecine isovalerate ester
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CAS No:
Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-[(3-methyl-1-oxobutoxy)methyl]-1H-pyrrolizin-1-yl ester, (1R-trans)- Basic Attributes
323.4 g/mol
323.43
DTXSID70164224
Computed Properties
Molecular Weight:323.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:323.20965841
Monoisotopic Mass:323.20965841
Topological Polar Surface Area:55.8
Heavy Atom Count:23
Complexity:470
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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