4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid
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![4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2429730d971b4ee0b4708c1c5b18edc8.png "4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid")
4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid
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CAS No:
89210-68-4
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Formula:
C31H53NO3
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Chemical Name:
4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid
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Synonyms:
cholesteryl GABA;cholesteryl gamma-aminobutyrate;Cholesteryl GABA;89210-68-4;Cholesteryl gamma-aminobutyrate;DTXSID401008710;4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid;Cholest-5-en-3-ol (3beta)-, 4-aminobutanoate;4-[(3-Hydroxycholest-5-en-4-yl)amino]butanoic acid
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CAS No:
4-[[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]amino]butanoic acid Basic Attributes
487.8 g/mol
487.40254455 g/mol
Computed Properties
Molecular Weight:487.8
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:487.40254455
Monoisotopic Mass:487.40254455
Topological Polar Surface Area:69.6
Heavy Atom Count:35
Complexity:777
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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