Dihydrovitamin K1

CAS Registry Number®

572-96-3

CAS Name

Dihydrovitamin K1

Molecular Formula

C31H48O2

Molecular Mass

452.71

Cite this Page

Dihydrovitamin K1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=572-96-3 (retrieved 2024-11-24) (CAS RN: 572-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H48O2/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/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

InChIKey

InChIKey=BUFJIHPUGZHTHL-NKFFZRIASA-N

SMILES

OC=1C2=C(C(O)=C(C)C1C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C=CC=C2

Canonical SMILES

OC=1C=2C=CC=CC2C(O)=C(C1C)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Other Names for this Substance

  • 1,4-Naphthalenediol, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
  • 1,4-Naphthalenediol, 2-methyl-3-phytyl-, (E)-
  • 1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
  • 1,4-Naphthalenediol, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-
  • 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenediol

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Deleted or Replaced CAS Registry Numbers

911658-38-3

CAS INSIGHTSTM
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