Structure Database (LMSD)
Common Name
Proversilin C
Systematic Name
Synonyms
3D model of Proversilin C
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
Level 4 Class
String Representations
InChiKey (Click to copy)
HNINPXQNFOXVGW-TXDLGXNGSA-N
InChi (Click to copy)
InChI=1S/C26H33NO5/c1-16(28)27-21(17-8-6-5-7-9-17)12-23(29)32-18-13-25(2,3)22-11-10-19-20(15-31-24(19)30)26(22,4)14-18/h5-9,18,21-22H,10-15H2,1-4H3,(H,27,28)/t18-,21-,22+,26-/m1/s1
SMILES (Click to copy)
[C@H]1(OC(=O)C[C@@H](NC(=O)C)C2=CC=CC=C2)C[C@]2(C)C3COC(=O)C=3CC[C@@]2([H])C(C)(C)C1
References
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
1
Rotatable Bonds
6
Van der Waals Molecular Volume
434.49
Topological Polar Surface Area
83.77
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
4.83
Molar Refractivity
120.33
Admin
Created at
7th Jul 2020
Updated at
7th Jul 2020