Structure Database (LMSD)

O H H
Common Name
levopimaradienal
Systematic Name
abieta-8(14),12-dien-18-al
Synonyms
  • (1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde
  • levopimaradien-18-al
  • levopimaral
LM ID
LMPR0104050009
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)
QAOPEXQKBQUUSQ-LWYYNNOASA-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/h6,12-14,17-18H,5,7-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CCC3[C@]2([H])CC=C(C(C)C)C=3)[C@@](C=O)(C)CC1

References

Other Databases

KEGG ID
C11886
CHEBI ID
52483
PubChem CID
443478

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 318.35
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.32
Molar Refractivity 87.96

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Created at
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Updated at
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