Products 52691-91-5

CAS 52691-91-5 appears in our catalog under these names: Phytonadione Epoxide, Phytonadione trans Epoxy (contains up to 20% cis isomer), >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 10mg, 50mg.

Phytonadione Epoxide
Chemat Brand
  • size: on request
  • Variants: 1
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Phytonadione trans Epoxy (contains up to 20% cis isomer), >95% (HPLC)
TRC
  • size: 100mg, 10mg, 50mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione (CAS 52691-91-5) is a chemical compound with the molecular formula C31H46O3 and a molecular weight of 466.7 g/mol. IUPAC name: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione. InChIKey: XIKNTKPLCMKTSC-UHFFFAOYSA-N.

Identity
Molecular formulaC31H46O3
Molecular weight466.7 g/mol
IUPAC name2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione
InChIKeyXIKNTKPLCMKTSC-UHFFFAOYSA-N
SMILESCC1=C(C(=O)C2=CC=CC=C2C1=O)CC3C(O3)(C)CCCC(C)CCCC(C)CCCC(C)C

Computed by PubChem (NCBI)

Synonyms: Phytomenadione Impurity 21, Vitamin K1 Impurity 167, Phytomenadione/Vitamin K1 Impurity 87, Phytomenadione/Vitamin K1 Impurity 99
Isomers (same molecular formula)
7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione C31H46O3
(4-phenylmethoxyphenyl) octadecanoate C31H46O3
7a-methyl-1a-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione C31H46O3
(1aR,7aS)-7a-methyl-1a-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione C31H46O3
2-[(E,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadec-1-enyl]-3-methylnaphthalene-1,4-dione C31H46O3