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Substance Name: Estradiol, 17-caprylate
RN: 63042-22-8
InChIKey: VJJJFYBJSXJBPB-XRKIENNPSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C26-H38-O3

Molecular Weight

  • 398.5832
 
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Names and Synonyms

Synonyms

  • 3-06-00-05347 (Beilstein Handbook Reference)
  • BRN 3168440
  • Caprylate d'oestradiol
  • Caprylate d'oestradiol [French]
  • Estra-1,3,5(10)-triene-3,17beta-diol 17-octanoate
  • Estradiol 17-octanoate

Systematic Name

  • Estradiol, 17-caprylate

Registry Numbers

CAS Registry Number

  • 63042-22-8

System Generated Number

  • 0063042228

Structure Descriptors

InChI

1S/C26H38O3/c1-3-4-5-6-7-8-25(28)29-24-14-13-23-22-11-9-18-17-19(27)10-12-20(18)21(22)15-16-26(23,24)2/h10,12,17,21-24,27H,3-9,11,13-16H2,1-2H3/t21-,22-,23+,24+,26+/m1/s1

InChIKey

VJJJFYBJSXJBPB-XRKIENNPSA-N

Smiles

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