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Substance Name: 4-Hydroxyestradiol 17-sulfate
RN: 90746-92-2
InChIKey: OFRQUXUVUJJDSU-ZHIYBZGJSA-N

Molecular Formula

  • C18-H24-O6-S

Molecular Weight

  • 368.448
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyestradiol 17-sulfate

Synonym

  • 4-OH-E2-17-S

Systematic Name

  • Estra-1,3,5(10)-triene-3,4,17-triol, 17-(hydrogen sulfate), (17bta)-

Registry Numbers

CAS Registry Number

  • 90746-92-2

System Generated Number

  • 0090746922

Structure Descriptors

InChI

1S/C18H24O6S/c1-18-9-8-11-10-4-6-15(19)17(20)13(10)3-2-12(11)14(18)5-7-16(18)24-25(21,22)23/h4,6,11-12,14,16,19-20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11-,12-,14+,16+,18+/m1/s1

InChIKey

OFRQUXUVUJJDSU-ZHIYBZGJSA-N

Smiles

c1c(c(c2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CC[C@@H]1OS(=O)(O)=O)C)O)O