Structure Database (LMSD)

H H
Common Name
isopimara-7,15-diene
Systematic Name
(13S)-pimara-7,15-diene
Synonyms
LM ID
LMPR0104080007
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
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]
Pimarane diterpenoids [PR010408]

String Representations

InChiKey (Click to copy)
VCOVNILQQQZROK-QGZVKYPTSA-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/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1
SMILES (Click to copy)
[C@]12([C@@]3(C)CCCC(C)(C)[C@]3([H])CC=C1C[C@](C=C)(C)CC2)[H]

References

Other Databases

KEGG ID
C18211
CHEBI ID
52280
PubChem CID
13969536

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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