3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER
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![3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/649f019f3ba34d0e9e24151583b97503.png "3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER")
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER
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CAS No:
100929-89-3
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Formula:
C28H47NO4
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Chemical Name:
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER
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Synonyms:
Glycolithocholic acid ethyl ester;DTXSID40585169;Ethyl N-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]glycinate;3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid ethyl ester;ethyl 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
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CAS No:
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER Basic Attributes
461.68
461.35100
DTXSID40585169
Computed Properties
Molecular Weight:461.7
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:461.35050898
Monoisotopic Mass:461.35050898
Topological Polar Surface Area:75.6
Heavy Atom Count:33
Complexity:725
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER
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