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Substance Name: Pyrocalciferol
RN: 128-27-8
UNII: 4QE155MND5
InChIKey: DNVPQKQSNYMLRS-OJBTWCRJSA-N

Molecular Formula

  • C28-H44-O

Molecular Weight

  • 396.6546
 
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Names and Synonyms

Name of Substance

  • Pyrocalciferol

Synonyms

  • 10alpha-Ergosterol
  • 9alpha-Lumisterol
  • Ergosta-5,7,22-trien-3-ol, (3beta,10alpha,22E)-
  • Pyrocalciferol
  • Pyrocalciferol [MI]
  • Pyroergocalciferol
  • Pyrovitamin D2
  • UNII-4QE155MND5

Registry Numbers

CAS Registry Number

  • 128-27-8

FDA UNII

  • 4QE155MND5

System Generated Number

  • 0000128278

Structure Descriptors

InChI

1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27+,28+/m0/s1

InChIKey

DNVPQKQSNYMLRS-OJBTWCRJSA-N

Smiles

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94 deg C   EXP

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