 Home > Encyclopedia > 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

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

CAS No:
89210-68-4
Formula:
C31H53NO3
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
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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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

Molecular Weight：

487.8 g/mol

Exact Mass：

487.40254455 g/mol

Characteristics

PSA：

69.6 Å²

Drug Information

MeSH Entry Terms：

cholesteryl GABA

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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Guide of 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
Characteristics
Drug Information
Computed Properties
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