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Substance Name: 2-Hydroxyestradiol 17-sulfate
RN: 75005-50-4
InChIKey: LKEXGMTXKRKYSA-XSSYPUMDSA-N

Molecular Formula

  • C18-H24-O6-S

Molecular Weight

  • 368.448
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyestradiol 17-sulfate

Synonym

  • 2-OH-E2-17-S

Systematic Name

  • Estra-1,3,5(10)-triene-2,3,17-triol, 17-(hydrogen sulfate), (17beta)-

Registry Numbers

CAS Registry Number

  • 75005-50-4

System Generated Number

  • 0075005504

Structure Descriptors

InChI

1S/C18H24O6S/c1-18-7-6-11-12(14(18)4-5-17(18)24-25(21,22)23)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-20H,2-7H2,1H3,(H,21,22,23)/t11-,12+,14-,17-,18-/m0/s1

InChIKey

LKEXGMTXKRKYSA-XSSYPUMDSA-N

Smiles

c1(c(cc2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CC[C@@H]1OS(=O)(O)=O)C)O)O