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cis-Vitamin K1

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For Research Use Only | Not For Clinical Use
CATAPS16033413
CAS16033-41-3
Structure
SynonymsPhylloquinone, cis- (8CI), 1,4-Naphthalenedione, 2-methyl-3-[(2Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]- (9CI),cis-Phytomenadione, cis-Vitamin K, cis-Phylloquinone, 1,4-Naphthalenedione, 2-methyl-3-[(2Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(Z)]]-
IUPAC Name2-methyl-3-[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Molecular Weight450.70
Molecular FormulaC31H46O2
Canonical SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C/CC1=C(C)C(=O)c2ccccc2C1=O)\C
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-/t23-,24-/m1/s1
Accurate Mass450.3498
FormatNeat
SubcategoryChiral molecules, Vitamins and derivatives, Vitamins
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