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Substance Name: Equilin, benzoate
RN: 6030-80-4
InChIKey: UIXFQXUDHNMOTI-KJWPAHLWSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C25-H24-O3

Molecular Weight

  • 372.462
 
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Names and Synonyms

Synonyms

  • 3-09-00-00767 (Beilstein Handbook Reference)
  • 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one, benzoate
  • BRN 3172244

Systematic Name

  • Equilin, benzoate

Registry Numbers

CAS Registry Number

  • 6030-80-4

System Generated Number

  • 0006030804

Structure Descriptors

InChI

1S/C25H24O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8-10,15,20,22H,7,11-14H2,1H3/t20-,22+,25+/m1/s1

InChIKey

UIXFQXUDHNMOTI-KJWPAHLWSA-N

Smiles

C(Oc1cc2CC=C3[C@H]4[C@](C(=O)CC4)(C)CC[C@H]3c2cc1)(=O)c1ccccc1