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Substance Name: 3',4'-Hexestrol quinone
RN: 100551-58-4
InChIKey: WHMZTZNMIAVTOD-CVEARBPZSA-N

Note

  • Metabolite of hexestrol.

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Name of Substance

  • 3',4'-Hexestrol quinone

Systematic Name

  • 3,5-Cyclohexadiene, 1,2-dione, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-, (R*,S*)-

Registry Numbers

CAS Registry Number

  • 100551-58-4

System Generated Number

  • 0100551584

Structure Descriptors

InChI

1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,15-16,19H,3-4H2,1-2H3/t15-,16+/m1/s1

InChIKey

WHMZTZNMIAVTOD-CVEARBPZSA-N

Smiles

c1(ccc(cc1)[C@@H](CC)[C@H](C=1C=CC(C(C1)=O)=O)CC)O