Structure Database (LMSD)
Common Name
terpentecin
Systematic Name
[(2S)-2-{(1R)-1-hydroxy-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl](oxo)acetaldehyde
Synonyms
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
ISTOHHFNKVUOKP-BRUMOIPRSA-N
InChi (Click to copy)
InChI=1S/C20H28O6/c1-11-6-5-7-13-18(3,12(2)16(24)17(25)19(11,13)4)8-14(22)20(10-26-20)15(23)9-21/h6,9,12-14,16,22,24H,5,7-8,10H2,1-4H3/t12-,13+,14-,16-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@@]12([H])[C@](C)(C(=O)[C@H](O)[C@@H](C)[C@@]1(C)C[C@@H](O)[C@@]1(CO1)C(=O)C=O)C(C)=CCC2
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
359.66
Topological Polar Surface Area
104.20
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
2.37
Molar Refractivity
95.28
Admin
Created at
-
Updated at
-