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Substance Name: Vitamin D4
RN: 511-28-4
UNII: KN41X73N6C
InChIKey: DIPPFEXMRDPFBK-JPWDPSJFSA-N

Molecular Formula

  • C28-H46-O

Molecular Weight

  • 398.6704
 
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Names and Synonyms

Name of Substance

  • Vitamin D4

Synonyms

  • 22,23-Dihydroercalciol
  • 22,23-Dihydroergocalciferol
  • 22,23-Dihydrovitamin D2
  • 24S-Methylcalciol
  • EINECS 208-127-5
  • UNII-KN41X73N6C

Systematic Names

  • 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-
  • 9,10-Secoergosta-5(Z),7(E),10(19)-trien-3beta-ol

Registry Numbers

CAS Registry Number

  • 511-28-4

FDA UNII

  • KN41X73N6C

System Generated Number

  • 0000511284

Structure Descriptors

InChI

1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

InChIKey

DIPPFEXMRDPFBK-JPWDPSJFSA-N

Smiles

CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
log P (octanol-water) 10.66 (none)   EST
Atmospheric OH Rate Constant 2.71E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.