Structure database (LMSD)

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LM IDLMPR0106010004
Common NameTetrahydrosqualene
Systematic NameTetrahydrosqualene
Synonyms-
Exact Mass
414.4226 (neutral)    Calculate m/z:
FormulaC30H54
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Acyclic triterpenoids [PR010601]
PubChem CID42608282
InChIKeyCOCRTLOZHDPILP-AAJYLUCBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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+
SMILESCC(C)CCC/C(=C/CC/C(/C)=C/CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
517.00Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP10.76Molar
Refractivity
140.11