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Substance Name: Estriol-3,16,17-trisulfate
RN: 17181-21-4
InChIKey: NRSXTVORYUECDJ-ZXXIGWHRSA-N

Molecular Formula

  • C18-H24-O12-S3

Molecular Weight

  • 528.574
 
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Names and Synonyms

Results Name

  • Estriol-3,16,17-trisulfate

Synonym

  • Estriol-3,16,17-trisulfate

Systematic Name

  • Estra-1,3,5(10)-triene-3,16,17-triol, tris(hydrogen sulfate), (16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 17181-21-4

System Generated Number

  • 0017181214

Structure Descriptors

InChI

1S/C18H24O12S3/c1-18-7-6-13-12-5-3-11(28-31(19,20)21)8-10(12)2-4-14(13)15(18)9-16(29-32(22,23)24)17(18)30-33(25,26)27/h3,5,8,13-17H,2,4,6-7,9H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)/t13-,14-,15+,16-,17+,18+/m1/s1

InChIKey

NRSXTVORYUECDJ-ZXXIGWHRSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CCc2c1)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O