Structure Database (LMSD)
Common Name
Proversilin E
Systematic Name
Synonyms
3D model of Proversilin E
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
Level 4 Class
References
String Representations
InChiKey (Click to copy)
FOXAXXSSZVCTNS-TWGVXTRVSA-N
InChi (Click to copy)
InChI=1S/C26H31NO6/c1-16(29)27-21(17-7-5-4-6-8-17)11-23(30)33-18-12-25(2,15-28)22-10-9-19-20(14-32-24(19)31)26(22,3)13-18/h4-8,15,18,21-22H,9-14H2,1-3H3,(H,27,29)/t18-,21-,22+,25-,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([H])=O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
1
Rotatable Bonds
7
Van der Waals Molecular Volume
440.64
Topological Polar Surface Area
100.84
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
4.01
Molar Refractivity
120.72
Admin
Created at
7th Jul 2020
Updated at
7th Jul 2020