Structure Database (LMSD)
Common Name
Dracocephalumoid C
Systematic Name
(10S,16S)-11,14,16-trihydroxy-12-methoxy-17(15-16),18(4-3)-diabeo-abieta-3,5,8,11,13-pentaen-7-one
Synonyms
3D model of Dracocephalumoid C
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)
ZLPQILOYTRHDCY-MQJDWESPSA-N
InChi (Click to copy)
InChI=1S/C21H26O5/c1-10-6-7-21(4)14(12(10)3)9-15(23)16-17(21)19(25)20(26-5)13(18(16)24)8-11(2)22/h9,11,22,24-25H,6-8H2,1-5H3/t11-,21-/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)C(=CC(=O)C3=C2C(O)=C(OC)C(C[C@@H](O)C)=C3O)C(C)=C(C)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
351.99
Topological Polar Surface Area
86.99
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.83
Molar Refractivity
99.59
Admin
Created at
9th Feb 2021
Updated at
20th Oct 2021