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
Main
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
References
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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