Structure Database (LMSD)

Common Name
Chlorobactane
Systematic Name
Synonyms
LM ID
LMPR01070287
Formula
C40H74
Exact Mass
Calculate m/z
554.57905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
JAXMAVFLNAJLLV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H74/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h28-29,31-36H,11-27,30H2,1-10H3
SMILES (Click to copy)
C1=CC(C)=C(C(C)=C1C)CCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Other Databases

PubChem CID
15338384

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 669.38
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.62
Molar Refractivity 183.50

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Created at
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Updated at
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