Structure Database (LMSD)
Common Name
Coprostanol
Systematic Name
5β-cholestan-3β-ol
Synonyms
- Coprosterol
3D model of Coprostanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QYIXCDOBOSTCEI-NWKZBHTNSA-N
InChi (Click to copy)
InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H](O)C1
Other Databases
Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0006
PubChem CID
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
435.01
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.75
Molar Refractivity
119.59
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Updated at
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