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Substance Name: Estradiol-3-O-carboxymethyl ether
RN: 41164-36-7
InChIKey: DFDLVUUNTZHQBI-JGLNRKDHSA-N

Molecular Formula

  • C20-H26-O4

Molecular Weight

  • 330.4214
 
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Names and Synonyms

Name of Substance

  • Estradiol-3-O-carboxymethyl ether

Synonyms

  • ((17beta-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)acetic acid
  • EDCME

Systematic Name

  • Acetic acid, (((17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 41164-36-7

System Generated Number

  • 0041164367

Structure Descriptors

InChI

1S/C20H26O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-18,21H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,18+,20+/m1/s1

InChIKey

DFDLVUUNTZHQBI-JGLNRKDHSA-N

Smiles

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