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Substance Name: 4-Hydroxy-equilin
RN: 81608-62-0
InChIKey: LCKBCCZEGNYLDE-VZSAFFHGSA-N

Note

  • Metabolite of EQUILIN; induces DNA damage.

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-equilin

Systematic Name

  • Estra-1,3,5(10),7-tetraen-17-one, 3,4-dihydroxy-

Registry Numbers

CAS Registry Number

  • 81608-62-0

System Generated Number

  • 0081608620

Structure Descriptors

InChI

1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h2,4,6,11,14,19,21H,3,5,7-9H2,1H3/t11-,14+,18+/m1/s1

InChIKey

LCKBCCZEGNYLDE-VZSAFFHGSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(c(c4CC=C3[C@@H]1CCC2=O)O)O