AC1L3XFK

2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione

Also Known As: Vitamin K1 Impurity 167|MT-45|Phytonadione Epoxide Impurity (Trans)|Phytomenadione/Vitamin K1 Impurity 87|Phytomenadione/Vitamin K1 Impurity 99|2-Methyl-3-((3-methyl-3-(4,8,12-trimethyltridecyl)oxiranyl)methyl)-1,4-naphthalenedione|1,4-naphthalenedione,2-methyl-3-((3-methyl-3-|2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione|1,4-Naphthalenedione,2-methyl-3-((3-methyl-3- -|1,4-Naphthalenedione, 2-methyl-3-((3-methyl-3-(4,8,12-trimethyltridecyl)oxiranyl)methyl)-|1,4-Naphthalenedione,2-methyl-3-((3-methyl-3-(4,8,12-trimethyltridecyl)oxiranyl)methyl)|1,4-Naphthalenedione, 2-methyl-3-((3-methyl-3-(4,8,12-trimethyltridecy l)oxiranyl)methyl)-|1,4-Naphthalenedione,2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)-2-oxiranyl]methyl]-|2-methyl-3-((3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl)methyl)naphthalene-1,4-dione|2-METHYL-3-{[3-METHYL-3-(4,8,12-TRIMETHYLTRIDECYL)OXIRAN-2-YL]METHYL}NAPHTHALENE-1,4-DIONE

Molecular Formula	C31H46O3
Molecular Weight	466.3447 g/mol
LogP	9.5
Topological Polar Surface Area	46.7 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	14
Exact Mass	466.3447
Monoisotopic Mass	466.3447
Heavy Atoms	34
Complexity	735.0

Chemical Identifiers

CAS Number	52691-91-5
SMILES	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3C(O3)(C)CCCC(C)CCCC(C)CCCC(C)C
InChIKey	XIKNTKPLCMKTSC-UHFFFAOYSA-N