Structure Database (LMSD)

Common Name
ent-pimara-9(11),15-diene
Systematic Name
5β,10α,13α-pimara-9(11),15-diene
Synonyms
LM ID
LMPR0104080005
Status
Active
Exact Mass
Calculate m/z
272.2504
Formula
C20H32
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)
NIRMOOCHGJGPKG-RKOGWWSCSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17+,19-,20-/m0/s1
SMILES (Click to copy)
[C@]12(C(C)(C)CCC[C@]1(C1=CC[C@](C)(C=C)C[C@]1([H])CC2)C)[H]

References

Other Databases

CHEBI ID
50064
PubChem CID
14239489

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 312.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.14
Molar Refractivity 87.57

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Created at
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Updated at
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