Structure Database (LMSD)
Common Name
11-Hydroxyceromelissic acid
Systematic Name
11-hydroxy-tritriacontanoic acid
Synonyms
- 11-OH-33:0
3D model of 11-Hydroxyceromelissic acid
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)
XJUVNDYZYNYSSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29-32(34)30-27-24-21-19-22-25-28-31-33(35)36/h32,34H,2-31H2,1H3,(H,35,36)
SMILES (Click to copy)
C(CCCCCCCCCC(O)CCCCCCCCCCCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
603.19
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
11.44
Molar Refractivity
158.34
Admin
Created at
-
Updated at
20th Oct 2021