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Substance Name: 17alpha-Ethynylestradiol-17beta-D-glucopyranosiduronic acid
RN: 75803-39-3
InChIKey: SQQXJBRONRGLRT-XQQCSVHLSA-N

Molecular Weight

  • 472.531
 
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Names and Synonyms

Name of Substance

  • 17alpha-Ethynylestradiol-17beta-D-glucopyranosiduronic acid

Synonym

  • 17-Eegp

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (17alpha)-3-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-17-yl

Registry Numbers

CAS Registry Number

  • 75803-39-3

System Generated Number

  • 0075803393

Structure Descriptors

InChI

1S/C26H32O8/c1-3-26(34-24-21(30)19(28)20(29)22(33-24)23(31)32)11-9-18-17-6-4-13-12-14(27)5-7-15(13)16(17)8-10-25(18,26)2/h1,5,7,12,16-22,24,27-30H,4,6,8-11H2,2H3,(H,31,32)/t16?,17?,18?,19-,20-,21+,22-,24-,25-,26?/m0/s1

InChIKey

SQQXJBRONRGLRT-XQQCSVHLSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@]1(CC[C@@H]2[C@@H]3CCc4cc(ccc4[C@@H]3CC[C@@]12C)O)C#C