Structure Database (LMSD)
Common Name
Clavurol D
Systematic Name
Synonyms
3D model of Clavurol D
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)
XKEWESAQXLOVQU-NJODACCNSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-14-6-5-7-15(2)12-18(22)19-17(16(3)13-21)9-11-20(19,4)10-8-14/h7,18-19,21-22H,1,5-6,8-13H2,2-4H3/b15-7+,17-16-/t18-,19+,20-/m1/s1
SMILES (Click to copy)
C1C/C(=C(/CO)\C)/[C@@]2([H])[C@H](O)CC(C)=CCCC(=C)CC[C@]12C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
2
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
339.50
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.11
Molar Refractivity
93.61
Admin
Created at
6th Feb 2022
Updated at
6th Feb 2022