Structure Database (LMSD)

Common Name
Viaticene A
Systematic Name
14R-(3R,7-dimethyloctyl)-3,7,11,15,19,23-hexamethyltetracosa-1,10E,15Z-triene
Synonyms
  • (3'R,10E,14R,15Z)-14-(3,7-dimethyloctyl)-3,7,11,15,19,23-hexamethyltetracosa-1,10,15-triene
LM ID
LMPR01071069
Formula
C40H76
Exact Mass
Calculate m/z
556.594701
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hypogastrura viatica (#367843)
Collembola (#30001)
Viaticene A – An Unusual Tetraterpene Cuticular Lipid Isolated from the Springtail Hypogastrura viatica,
Eur J Org Chem, 2019

String Representations

InChiKey (Click to copy)
QEBLILLVVXGKOL-IFSMZRNQSA-N
InChi (Click to copy)
InChI=1S/C40H76/c1-12-34(6)20-15-23-36(8)24-16-25-38(10)29-31-40(30-28-37(9)22-14-19-33(4)5)39(11)27-17-26-35(7)21-13-18-32(2)3/h12,25,27,32-37,40H,1,13-24,26,28-31H2,2-11H3/b38-25+,39-27-/t34?,35?,36?,37-,40-/m1/s1
SMILES (Click to copy)
C=CC(C)CCCC(C)CC/C=C(\C)/CC[C@@H](CC[C@H](C)CCCC(C)C)/C(/C)=C\CCC(C)CCCC(C)C

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 26
Van der Waals Molecular Volume 692.64
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 14.17
Molar Refractivity 186.02

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Created at
15th Apr 2025
Updated at
15th Apr 2025