Structure Database (LMSD)
Common Name
Dracocephalumoid D
Systematic Name
(3R,5R,10S,16S)-3,11,12,16-tetrahydroxy-17(15-16)-abeo-abieta-8,11,13-trien-7-one
Synonyms
3D model of Dracocephalumoid 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)
LZMBNFAKNKQBQT-NNGOFWHYSA-N
InChi (Click to copy)
InChI=1S/C20H28O6/c1-9(21)7-10-16(24)14-11(22)8-12-19(2,3)13(23)5-6-20(12,4)15(14)18(26)17(10)25/h9,12-13,21,23-26H,5-8H2,1-4H3/t9-,12+,13+,20+/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CC(=O)C3=C2C(O)=C(O)C(C[C@H](O)C)=C3O)C(C)(C)[C@@H](O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
348.76
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
2.94
Molar Refractivity
96.66
Admin
Created at
9th Feb 2021
Updated at
20th Oct 2021