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Substance Name: Equilenin, benzoate
RN: 604-58-0
InChIKey: VVFAWJYXSMMTEE-DHLKQENFSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C25-H22-O3

Molecular Weight

  • 370.446
 
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Names and Synonyms

Synonyms

  • 3-09-00-00769 (Beilstein Handbook Reference)
  • 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one benzoate
  • BRN 3223339

Systematic Name

  • Equilenin, benzoate

Registry Numbers

CAS Registry Number

  • 604-58-0

System Generated Number

  • 0000604580

Structure Descriptors

InChI

1S/C25H22O3/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/h2-10,15,22H,11-14H2,1H3/t22-,25-/m0/s1

InChIKey

VVFAWJYXSMMTEE-DHLKQENFSA-N

Smiles

c1(ccc2c3CC[C@@]4(C(CC[C@@H]4c3ccc2c1)=O)C)OC(c1ccccc1)=O