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Substance Name: Lumisterol
RN: 474-69-1
UNII: 170D11Q82N
InChIKey: DNVPQKQSNYMLRS-YAPGYIAOSA-N

Molecular Formula

  • C28-H44-O

Molecular Weight

  • 396.6546
 
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Names and Synonyms

Name of Substance

  • Lumisterol

Synonyms

  • EINECS 207-487-0
  • UNII-170D11Q82N

Systematic Name

  • 9-beta,10-alpha-Ergosta-5,7,22-trien-3-beta-ol

Registry Numbers

CAS Registry Number

  • 474-69-1

FDA UNII

  • 170D11Q82N

System Generated Number

  • 0000474691

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-YAPGYIAOSA-N

Smiles

C12=CC=C3[C@]([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)(CC[C@@H](C3)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
log P (octanol-water) 8.860 (none)   EST
Atmospheric OH Rate Constant 3.51E-10 cm3/molecule-sec 25 EST

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