Structure Database (LMSD)

Common Name
Axerophthene
Systematic Name
Synonyms
LM ID
LMPR0104020002
Formula
C20H30
Exact Mass
Calculate m/z
270.23475
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Prenylbisabolane and cyclophytane diterpenoids [PR010402]

String Representations

InChiKey (Click to copy)
IDMGVRDNZFQORW-JWBAUCAFSA-N
InChi (Click to copy)
InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C)=C(C)CC1

Other Databases

CHEBI ID
40918
PubChem CID
5287722
PDB ID
AZE

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 329.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.54
Molar Refractivity 91.80

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Updated at
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