CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
CAS: 1510-21-0
Name: 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
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C

Molecular Processing

Molecular formula
C31H50O4
Molecular weight
486.74
Exact mass
486.3709
XLogP
7.8
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.871
Molar refractivity
139.8

Supplementary Information

InChIKey: WLNARFZDISHUGS-MIXBDBMTSA-N
Synonyme
Cholesteryl hemisuccinate1510-21-0Cholesteryl succinatemonocholesteryl succinateT3J4KS4201CHEBI:138742NSC-628321RefChem:576072216-148-6Cholesterol Hydrogen SuccinateCholesterol hemisuccinateCHEMSCholesteryl hydrogen succinateMFCD000377054-[[(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 acidCholest-5-en-3beta-yl hydrogen succinateCholest-5-en-3-ol (3beta)-, 3-(hydrogen butanedioate)Succinic Acid Monocholesterol Ester3-cholesteryloxycarbonylpropanoic acidCholest-5-en-3-ol (3.beta.)-, hydrogen butanedioateC31H50O4CholesterylhemisuccinateUNII-T3J4KS42013-(3-Cholesteryloxycarbonyl)propionic Acid; 3-Cholesteryloxycarbonylpropanoic Acid;3-[(Cholest-5-en-3ss-yl)oxycarbonyl]propionic Acid; Cholesterol Hemisuccinate;DTXSID10934145Y01EINECS 216-148-6NSC 628321SCHEMBL330610
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