Structure Database (LMSD)

Common Name
C25 6,7-Epoxy highly branched isoprenoid
Systematic Name
2,6,10,14-tetramethyl-6,7-epoxy-9-(3-methyl-pentyl)-pentadecane
Synonyms
LM ID
LMPR0105010003
Formula
C25H50O
Exact Mass
Calculate m/z
366.386165
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
CKTDKWGLYNYMOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h19-24H,9-18H2,1-8H3
SMILES (Click to copy)
CC(CCCC(C)C(CCC(C)CC)CC1OC1(CCCC(C)C)C)C

Other Databases

PubChem CID
42608272

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 437.49
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.84
Molar Refractivity 117.64

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Created at
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Updated at
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