Structure Database (LMSD)

Common Name
isopimara-7,15-dienol
Systematic Name
(13S)-pimara-7,15-dien-18-ol
Synonyms
  • 18-Hydroxy-isopimaradien
  • 7,15-Isopimaradien-18-ol
  • Isopimara-7,15-dien-19-ol
  • [(1R,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl]methanol
  • isopimarinol
LM ID
LMPR0104080008
Status
Active
Exact Mass
Calculate m/z
288.245315
Formula
C20H32O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Pimarane diterpenoids [PR010408]

String Representations

InChiKey (Click to copy)
DUEINKIQNGZKPL-VYJAJWGXSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CC[C@](C)(C=C)C3)[C@@](CO)(C)CC1

References

Other Databases

KEGG ID
C18221
CHEBI ID
52484
PubChem CID
15586712

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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