Structure database (LMSD)

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LM IDLMPR0106010005
Common NameC30:6 Highly branched isoprenoid A
Systematic Name2,6,10,14,18-pentamethyl-13E-(3-methyl-pent-4-enylidene)-nonadeca-2,6E,10Z,17-
tetraene
Synonyms-
Exact Mass
410.3913 (neutral)    Calculate m/z:
FormulaC30H50
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Acyclic triterpenoids [PR010601]
PubChem CID21776229
InChIKeyJCWJDRJIYCBBNM-FTTJEOKKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(
7)16-11-14-24(2)3/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,
28-21-,30-22+
SMILESC/C(/C)=C/CCC(/C(=C/CC(C)C=C)/C/C=C(\CC/C=C(\C)/CC/C=C(\C)/C)/C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
511.72Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP10.32Molar
Refractivity
139.92