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Substance Name: Estradiol monopalmitate
RN: 5776-45-4
UNII: 1Q5Y448XT0
InChIKey: XQKLZLWOOGGXMV-KWXXMMNJSA-N

Molecular Formula

  • C34-H54-O3

Molecular Weight

  • 510.7976
 
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Names and Synonyms

Name of Substance

  • Estradiol monopalmitate

Synonyms

  • EINECS 227-300-6
  • UNII-1Q5Y448XT0

Systematic Name

  • Estra-1,3,5(10)-triene-3,17beta-diol 17-palmitate

Registry Numbers

CAS Registry Number

  • 5776-45-4

FDA UNII

  • 1Q5Y448XT0

System Generated Number

  • 0005776454

Structure Descriptors

InChI

1S/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3/t29-,30-,31+,32+,34+/m1/s1

InChIKey

XQKLZLWOOGGXMV-KWXXMMNJSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C