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Substance Name: 3-Deoxyestradiol 17-sulfate
RN: 115876-62-5
InChIKey: UWWBAQHFYAWUGM-CMZLOHJFSA-M

Molecular Formula

  • C18-H24-O4-S.K

Molecular Weight

  • 374.54
 
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Names and Synonyms

Name of Substance

  • 3-Deoxyestradiol 17-sulfate

Synonym

  • 3-Dess

Systematic Name

  • Estra-1,3,5(10)-trien-7-ol, hydrogen sulfate, potassium salt, (17beta)-

Registry Numbers

CAS Registry Number

  • 115876-62-5

System Generated Number

  • 0115876625

Molecular Formulas

Molecular Formula

  • C18-H24-O4-S.K

Molecular Formula Fragments

  • C18-H24-O4-S
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C18H24O4S.K/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)22-23(19,20)21;/h2-5,14-17H,6-11H2,1H3,(H,19,20,21);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1

InChIKey

UWWBAQHFYAWUGM-CMZLOHJFSA-M

Smiles

c1ccc2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CC[C@@H]1OS(=O)([O-])=O)C.[K+]