Structure Database (LMSD)
Common Name
Certonardosterol F
Systematic Name
5α-cholestan-3β,6α,15β,24S-tetrol
Synonyms
LM ID
LMST01010479
Formula
Exact Mass
Calculate m/z
436.35526
Sum Composition
Status
Active
3D model of Certonardosterol F
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
References
String Representations
InChiKey (Click to copy)
GAVMUEBNINHFDC-WADCUEKASA-N
InChi (Click to copy)
InChI=1S/C27H48O4/c1-15(2)22(29)7-6-16(3)20-14-24(31)25-18-13-23(30)21-12-17(28)8-10-26(21,4)19(18)9-11-27(20,25)5/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19+,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)CC[C@H](O)C(C)C)C[C@@H](O)[C@@]4([H])[C@]3([H])C[C@H](O)[C@@]2([H])C[C@@H](O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
461.38
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
5.53
Molar Refractivity
125.29
Admin
Created at
15th Jul 2021
Updated at
17th May 2023