Structure Database (LMSD)
Common Name
15-hydroxydeltoidin A
Systematic Name
Synonyms
3D model of 15-hydroxydeltoidin A
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)
HIWQHRYAEHHJEB-ONCVQVOVSA-N
InChi (Click to copy)
InChI=1S/C19H26O6/c1-4-12(3)18(22)23-14-8-11(2)6-5-7-19(10-20)17(25-19)16-13(14)9-15(21)24-16/h4,6,13-14,16-17,20H,5,7-10H2,1-3H3/b11-6+,12-4-/t13-,14-,16+,17+,19+/m1/s1
SMILES (Click to copy)
C1CC[C@]2(O[C@H]2[C@H]2OC(=O)C[C@@H]2[C@H](OC(=O)/C(/C)=C\C)CC=1C)CO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
342.36
Topological Polar Surface Area
87.43
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.49
Molar Refractivity
92.13
Admin
Created at
2nd Oct 2020
Updated at
2nd Oct 2020