Structure Database (LMSD)

Common Name
C25:4 Highly branched isoprenoid C
Systematic Name
2,6,10,14-tetramethyl-9E-(3-methyl-pent-4-enylidene)-pentadeca-2,6E-diene
Synonyms
LM ID
LMPR0105010006
Formula
C25H44
Exact Mass
Calculate m/z
344.3443
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Acyclic sesterterpenoids [PR010501]

String Representations

InChiKey (Click to copy)
NGTHMXZCVWHQKA-VAHBTUPDSA-N
InChi (Click to copy)
InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,17-18,21-22,24H,1,10-11,13-16,19H2,2-8H3/b23-17+,25-18+
SMILES (Click to copy)
CC(CCCC(C)/C(=C/CC(C)C=C)/C/C=C(/CC/C=C(\C)/C)\C)C

References

Other Databases

PubChem CID
6430527

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 430.50
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.67
Molar Refractivity 116.95

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Created at
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Updated at
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