Structure Database (LMSD)
Common Name
capsidiol
Systematic Name
(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol 1β,3α,4βH-eremophila-9,11-diene-1,3-diol
Synonyms
- (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
- Capsidiol
3D model of capsidiol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
BXXSHQYDJWZXPB-OKNSCYNVSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
SMILES (Click to copy)
[C@@]12(C)[C@H](C)[C@@H](C[C@@H](O)C1=CC[C@@H](C(C)=C)C2)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
255.64
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.24
Molar Refractivity
70.55
Admin
Created at
-
Updated at
-