Structure Database (LMSD)
Common Name
9-Hydroxy-helminthosporol
Systematic Name
Synonyms
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
QFJIUZRBPKWCLG-ABHRYQDASA-N
InChi (Click to copy)
InChI=1S/C15H24O3/c1-9-10(7-16)13-11(14(2,3)18)5-6-15(9,4)12(13)8-17/h7,11-13,17-18H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m0/s1
SMILES (Click to copy)
C(=O)C1[C@H]2[C@@H](C(O)(C)C)CC[C@](C)([C@H]2CO)C=1C
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
2
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
264.43
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.50
Molar Refractivity
70.96
Admin
Created at
-
Updated at
19th Jul 2021