Structure Database (LMSD)
Common Name
dehydroabietadienal
Systematic Name
abieta-8,11,13-trien-18-al
Synonyms
- Dehydroabietal
- Dehydroabietic aldehyde
- Dehydroabietinal
3D model of dehydroabietadienal
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)
YCLCHPWRGSDZKL-SLFFLAALSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CCC3=C2C=CC(C(C)C)=C3)[C@@](C=O)(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
304.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.02
Molar Refractivity
87.72
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Created at
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Updated at
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