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Cholesteryl Hydrogen Succinate

CAT: 0024-sc-294017Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-294017Size:5 g
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CAS Number
1510-20-9

Chemical Information

Cholesterol succinate
CAS Number1510-20-9
PubChem CID23624095
IUPAC Namebis[(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] butanedioate
Molecular FormulaC58H94O4
Molecular Weight855.4
XLogP17.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count62
Formal Charge0
Complexity1540
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O[C@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7CC=C6C5)CC[C@@H]8[C@H](C)CCCC(C)C)C)C)C)C
InChI
InChI=1S/C58H94O4/c1-37(2)13-11-15-39(5)47-21-23-49-45-19-17-41-35-43(27-31-55(41,7)51(45)29-33-57(47,49)9)61-53(59)25-26-54(60)62-44-28-32-56(8)42(36-44)18-20-46-50-24-22-48(40(6)16-12-14-38(3)4)58(50,10)34-30-52(46)56/h17-18,37-40,43-52H,11-16,19-36H2,1-10H3/t39-,40-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,55+,56+,57-,58-/m1/s1
InChIKey
PRGHALIMOGZFFF-NTVQCMJZSA-N
Chemical Structure
2D Structure
2D structure of Cholesterol succinate
CAS: 1510-20-9
CID: 23624095
Formula: C58H94O4
MW: 855.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.4
XLogP317.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass854.71521148
Monoisotopic Mass854.71521148
Topological Polar Surface Area52.6 Ų
Heavy Atom Count62
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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