Phytonadione

• Formula: C₃₁H₄₆O₂
• Molecular weight: 450.6957
• IUPAC Standard InChI: InChI=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-/m0/s1 Copy

  
• IUPAC Standard InChIKey: MBWXNTAXLNYFJB-JHBCSKSVSA-N Copy
• CAS Registry Number: 84-80-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Vitamin k1
• Other names: Vitamin K1; 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-; α-Phylloquinone; trans-Phylloquinone; Aqua Mephyton; Combinal K1; K-Ject; Kativ N; Kephton; Kinadion; Konakion; Mephyton; Mono-Kay; Monodion; Phyllochinon; Phylloquinone; Phythyl-menadion; Phytomenadione; Phytylmenadione; Synthex P; Vitamin K1(20); 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-; 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione; 2',3'-trans-Vitamin K1; Antihemorrhagic vitamin; 2-Methyl-3-phytyl-1,4-naphthochinon; 1,4-Naphthoquinone, 2-methyl-3-phytyl-; [R-[R*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione; [R-[R*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione; 2-Methyl-3-phytyl-1,4-naphthoquinone; 3-Phytylmenadione; Aqua-Mephytin; NSC 270681
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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