Cholesteryl hemisuccinate

4-[[(3S,8S,9S,10R,13R,14S,17R)-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-3-yl]oxy]-4-oxobutanoic acid

CAS: 1510-21-0

Molecular Formula	`C31H50O4`
Molecular Weight	486.7 g/mol
LogP	8.5
Topological Polar Surface Area	63.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	486.3709
Heavy Atoms	35
Complexity	815.0

Chemical Identifiers

CAS Number	1510-21-0
SMILES	`CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C`
InChIKey	`WLNARFZDISHUGS-MIXBDBMTSA-N`

📖 Product Overview

Cholesteryl hemisuccinate (CAS: 1510-21-0) is a chemical compound with molecular formula C31H50O4 and molecular weight 486.7 g/mol. Its IUPAC systematic name is 4-[[(3S,8S,9S,10R,13R,14S,17R)-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-3-yl]oxy]-4-oxobutanoic acid. LogP 8.5 Topological Polar Surface Area 63.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 486.3709 Heavy Atoms 35 Complexity 815.0 InChI Key: WLNARFZDISHUGS-MIXBDBMTSA-N. SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C.

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