Structure Database (LMSD)
Common Name
(20R)-17alpha,20-dihydroxycholesterol
Systematic Name
(20R)-cholest-5-en-3β,17α,20-triol
Synonyms
- 17alpha,20alpha-Dihydroxycholesterol
LM ID
LMST04030176
Formula
Exact Mass
Calculate m/z
418.344695
Sum Composition
Status
Active
3D model of (20R)-17alpha,20-dihydroxycholesterol
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)
PRZXKPDANWDCNC-IBQHSZKZSA-N
InChi (Click to copy)
InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26+,27+/m0/s1
SMILES (Click to copy)
[C@]12(C)CC[C@@]3([H])[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2(O)[C@@](O)(C)CCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
449.95
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
6.48
Molar Refractivity
123.51
Admin
Created at
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Updated at
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