Structure database (LMSD)

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LM IDLMPR0106010007
Common NameC30:5 Monocyclic highly branched isoprenoid B
Systematic Name2,6,10,14,18-pentamethyl-13E-(3-methyl-pent-4-enylidene)-nonadeca-2,6E,10E-
triene
Synonyms-
Exact Mass
412.4069 (neutral)    Calculate m/z:
FormulaC30H52
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Acyclic triterpenoids [PR010601]
PubChem CID21776230
InChIKeyBNYPZWFLESHHNE-VZKDKEEGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H52/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/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-1
7+,28-21+,30-22+
SMILESCC(C)CCCC(/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 Bonds16
 van der Waals
Molecular Volume
514.36Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP10.40Molar
Refractivity
139.94