Structure Database (LMSD)

Common Name
Decahydropentaprenylprespatane
Systematic Name
Synonyms
LM ID
LMPR01071072
Formula
C40H74
Exact Mass
Calculate m/z
554.579051
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
Podura aquatica (#50589)
Collembola (#30001)
The unique epicuticular chemistry of Collembola - A cross-species analysis.,
iScience, 2024
Pubmed ID: 39139403

String Representations

InChiKey (Click to copy)
AXXCYGIPLKIYLL-WGBZVHGMSA-N
InChi (Click to copy)
InChI=1S/C40H74/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)36-27-28-40(9)37-26-25-35(8)38(37)39(36)40/h29-33,35-39H,7,10-28H2,1-6,8-9H3/t30?,31?,32?,33?,35-,36?,37+,38-,39+,40-/m0/s1
SMILES (Click to copy)
C(C1CC[C@]2([C@]3([H])CC[C@H](C)[C@]3([H])[C@@]12[H])C)(=C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 3
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 660.84
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.30
Molar Refractivity 179.59

Admin

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