Structure Database (LMSD)
Common Name
Ximaosarcophytol B
Systematic Name
Synonyms
3D model of Ximaosarcophytol B
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)
SECPNCQNMJDPBF-STMGXBFISA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-16-8-6-10-17(2)12-14-20(22,19(4,5)21)15-13-18(3)11-7-9-16/h8,10-12,14,21-22H,6-7,9,13,15H2,1-5H3/b14-12+,16-8+,17-10-,18-11+/t20-/m1/s1
SMILES (Click to copy)
C1[C@@](C(O)(C)C)(O)CCC(C)=CCCC(C)=CCC=C(C)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
349.22
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.42
Molar Refractivity
95.77
Admin
Created at
12th Apr 2021
Updated at
12th Apr 2021