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Substance Name: Epiestriol [INN:BAN]
RN: 547-81-9
UNII: 8XZ32LI44K
InChIKey: PROQIPRRNZUXQM-ZMSHIADSSA-N

Molecular Formula

  • C18-H24-O3

Molecular Weight

  • 288.3846
 
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Names and Synonyms

Name of Substance

  • Epiestriol [INN:BAN]

Synonyms

  • 16-Epiestriol
  • EINECS 208-937-9
  • Epiestriol
  • Epiestriolo
  • Epiestriolo [DCIT]
  • Epiestriolum
  • Epiestriolum [INN-Latin]
  • Epioestriol
  • Epioestriolum
  • UNII-8XZ32LI44K

Systematic Names

  • Epiestriol
  • Estra-1,3,5(10)-triene-3,16,17-triol, (16beta,17beta)-
  • Estra-1,3,5(10)-triene-3,16beta,17beta-triol

Registry Numbers

CAS Registry Number

  • 547-81-9

FDA UNII

  • 8XZ32LI44K

System Generated Number

  • 0000547819

Structure Descriptors

InChI

1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

InChIKey

PROQIPRRNZUXQM-ZMSHIADSSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](O)[C@@H]2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 290 deg C   EXP
log P (octanol-water) 2.320 (none)   EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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