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
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
Other Databases
PubChem CID
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