Structure Database (LMSD)

Common Name
Tetrahydrosqualene
Systematic Name
Tetrahydrosqualene
Synonyms
LM ID
LMPR0106010004
Formula
C30H54
Exact Mass
Calculate m/z
414.42255
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]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

String Representations

InChiKey (Click to copy)
COCRTLOZHDPILP-AAJYLUCBSA-N
InChi (Click to copy)
InChI=1S/C30H54/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h17-18,23-26H,9-16,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
CC(C)CCC/C(=C/CC/C(/C)=C/CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)/C

References

Other Databases

PubChem CID
42608282

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 517.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.76
Molar Refractivity 140.11

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Created at
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Updated at
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