Structure database (LMSD)

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LM IDLMPR0106020003
Common NameC30 Monocyclic highly branched isoprenoid
Systematic Name1-isopropyl-4-methyl-2-(3,7,11,15-tetramethyl-hexadecan-7-yl)-cyclohexane
Synonyms-
Exact Mass
420.4695 (neutral)    Calculate m/z:
FormulaC30H60
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Cyclohexane triterpenoids [PR010602]
PubChem CID42608283
InChIKeyCYGHPBQDCJXIPT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H60/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(
8)18-19-28(29)24(4)5/h23-29H,10-22H2,1-9H3
SMILESC(C)(C)CCCC(C)CCCC(CCCC(C)CC)(C1C(C(C)C)CCC(C)C1)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
515.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP10.55Molar
Refractivity
137.95