Structure database (LMSD)

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LM IDLMPR0106030001
Common NameBotryococcane
Systematic Name10-ethyl-2,6,10,13,17,21-hexamethyl-docosane
Synonyms-
Exact Mass
422.4852 (neutral)    Calculate m/z:
FormulaC30H62
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Botryococcene triterpenoids [PR010603]
PubChem CID14432021
InChIKeyBMQOPLQIXUYINH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H62/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(
6)17-11-15-25(2)3/h25-29H,10-24H2,1-9H3
SMILESCC(C)CCCC(CCCC(C)(CC)CCC(CCCC(C)CCCC(C)C)C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
527.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.08Molar
Refractivity
140.20