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Substance Name: 15alpha-Hydroxyestrone 3-sulfate 15-N-acetylglucosaminide
RN: 25577-72-4
InChIKey: OFPOAILCNJKWNQ-VMKMRFQFSA-N

Molecular Formula

  • C26-H35-N-O11-S

Molecular Weight

  • 569.6245
 
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Names and Synonyms

Name of Substance

  • 15alpha-Hydroxyestrone 3-sulfate 15-N-acetylglucosaminide

Synonyms

  • 15alpha-Hydroxyestrone sulfo-N-acetylglucosaminide
  • 15alpha-Hydroxyestrone-3-sulfo-15-N-acetylglucosaminide
  • 3-Sulfato-17-oxoestra-1,3,5(10)-trien-15alpha-yl-2'-acetamido-2'-deoxy-beta-D-glucopyranoside

Systematic Names

  • 15alpha-((2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-3-(sulfooxy)estra-1,3,5(10)-trien-17-one
  • Estra-1,3,5(10)-trien-17-one, 15-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-3-(sulfooxy)-, (15alpha)-

Registry Numbers

CAS Registry Number

  • 25577-72-4

Other Registry Number

  • 30802-21-2

System Generated Number

  • 0025577724

Structure Descriptors

InChI

1S/C26H35NO11S/c1-12(29)27-22-24(32)23(31)19(11-28)37-25(22)36-18-10-20(30)26(2)8-7-16-15-6-4-14(38-39(33,34)35)9-13(15)3-5-17(16)21(18)26/h4,6,9,16-19,21-25,28,31-32H,3,5,7-8,10-11H2,1-2H3,(H,27,29)(H,33,34,35)/t16-,17-,18+,19-,21-,22-,23-,24-,25-,26-/m1/s1

InChIKey

OFPOAILCNJKWNQ-VMKMRFQFSA-N

Smiles

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2CC(=O)[C@@]3(C)CC[C@H]4[C@@H](CCc5cc(OS(=O)(=O)O)ccc45)[C@H]23