Structure Database (LMSD)
Common Name
Dracocephalumoid A
Systematic Name
(3R,5R,10S,16S)-12,16-epoxy-3,11,14-trihydroxy-17(15-16),18(4-3)-diabeo-abieta-4(19),8,11,13-tetraen-7-one
Synonyms
3D model of Dracocephalumoid 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)
LHBNSQXRORKARD-AZSZCMADSA-N
InChi (Click to copy)
InChI=1S/C20H24O5/c1-9-7-11-16(22)14-13(21)8-12-10(2)20(4,24)6-5-19(12,3)15(14)17(23)18(11)25-9/h9,12,22-24H,2,5-8H2,1,3-4H3/t9-,12-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CC(=O)C3=C2C(O)=C2O[C@@H](C)CC2=C3O)C(=C)[C@](C)(O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
324.97
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.56
Molar Refractivity
93.38
Admin
Created at
9th Feb 2021
Updated at
9th Feb 2021