Structure Database (LMSD)
Common Name
dehydroabietadienol
Systematic Name
abieta-8,11,13-trien-18-ol
Synonyms
- Dehydroabeityl alcohol
- Dehydroabietinol
- Dehydroabietol
- [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanol
3D model of dehydroabietadienol
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)
WSKGRAGZAQRSED-SLFFLAALSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CCC3=C2C=CC(C(C)C)=C3)[C@@](CO)(C)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
307.45
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.10
Molar Refractivity
89.23
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Created at
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Updated at
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