Structure Database (LMSD)
Common Name
abietol
Systematic Name
abieta-7,13-dien-18-ol
Synonyms
- Abietinol
- Abietol
- abietadienol
- abietyl alcohol
3D model of abietol
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
String Representations
InChiKey (Click to copy)
GQRUHVMVWNKUFW-LWYYNNOASA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CCC(C(C)C)=C3)[C@@](CO)(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
320.99
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.40
Molar Refractivity
89.48
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Created at
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Updated at
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