Structure database (LMSD)

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LM IDLMPR0106020001
Common NameC30:5 Monocyclic highly branched isoprenoid A
Systematic Name1-methyl-4-(prop-1-en-2-yl)-3-(3,7,11,15-tetramethyl-hexadeca-1,10E,14-trien-7-
yl)-cyclohex-1-ene
Synonyms-
Exact Mass
410.3913 (neutral)    Calculate m/z:
FormulaC30H50
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Cyclohexane triterpenoids [PR010602]
PubChem CID21578706
InChIKeyZJVXDMICLAHVAH-YZSQISJMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50/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/h10,14,17,22,25,28-29H,1,4,11-13,15-16,18-21H2,2-3,5-9H3/b2
6-17+
SMILESC(/C)(\C)=C/CC/C(/C)=C/CCC(CCCC(C)C=C)(C1C(C(C)=C)CCC(C)=C1)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
502.00Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP10.01Molar
Refractivity
137.76