Structure Database (LMSD)

HO H
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
LM ID
LMPR0104050010
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Abietane diterpenoids [PR010405]

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

Other Databases

CHEBI ID
52486
PubChem CID
15586718

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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