Structure Database (LMSD)

Common Name
hexahydroxytetraprenylprespatane
Systematic Name
Synonyms
LM ID
LMPR01071074
Formula
C35H62
Exact Mass
Calculate m/z
482.485151
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)
XJLKAIDJVCUGFT-BRHFYDDPSA-N
InChi (Click to copy)
InChI=1S/C35H62/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)31-23-24-35(8)32-22-21-30(7)33(32)34(31)35/h13,26-28,30-34H,6,9-12,14-24H2,1-5,7-8H3/t26?,27?,28?,30-,31?,32+,33-,34+,35-/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)CC/C=C(\C)/C

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 571.70
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 11.42
Molar Refractivity 156.55

Admin

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