Structure Database (LMSD)

O
Common Name
C25:3 6,7-Epoxy highly branched isoprenoid
Systematic Name
2,6,14-trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadec-2-ene
Synonyms
LM ID
LMPR0105010001
Formula
C25H44O
Exact Mass
Calculate m/z
360.339215
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)
DFYPQSCRXJHGDF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O/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/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3
SMILES (Click to copy)
CC(CCCC(=C)C(CCC(C)C=C)CC1OC1(CC/C=C(\C)/C)C)C

References

Other Databases

PubChem CID
42608270

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 429.57
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.45
Molar Refractivity 117.50

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Created at
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Updated at
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