Structure Database (LMSD)

Common Name
Octahydroxytetraprenylprespatane
Systematic Name
Synonyms
LM ID
LMPR01071076
Formula
C35H64
Exact Mass
Calculate m/z
484.500801
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)
RXEOZZLNWAJMCQ-BRHFYDDPSA-N
InChi (Click to copy)
InChI=1S/C35H64/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/h25-28,30-34H,6,9-24H2,1-5,7-8H3/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)CCCC(C)C

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 574.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 11.50
Molar Refractivity 156.57

Admin

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