Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dehydroergosterol
RN: 516-85-8
UNII: 123R6KJQ51
InChIKey: QSVJYFLQYMVBDR-CMNOFMQQSA-N

Molecular Formula

  • C28-H42-O

Molecular Weight

  • 394.639
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dehydroergosterol

Synonyms

  • delta(5,7,9(11)22)-Ergostatetraen-3-ol
  • Ergosta-5,7,9(11),22-tetraen-3beta-ol
  • UNII-123R6KJQ51

Systematic Name

  • Ergosta-5,7,9(11),22-tetraen-3-ol, (3beta,22E)-

Registry Numbers

CAS Registry Number

  • 516-85-8

FDA UNII

  • 123R6KJQ51

System Generated Number

  • 0000516858

Structure Descriptors

InChI

1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1

InChIKey

QSVJYFLQYMVBDR-CMNOFMQQSA-N

Smiles

C=12[C@@]3(C(=CC=C2[C@@H]2CC[C@@H]([C@@]2(CC1)C)[C@@H](\C=C\[C@@H](C(C)C)C)C)C[C@H](CC3)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
log P (octanol-water) 8.770 (none)   EST
Atmospheric OH Rate Constant 3.81E-10 cm3/molecule-sec 25 EST

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