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Substance Name: 17alpha-Estradiol-3-galacturonide
RN: 63307-54-0
InChIKey: MUOHJTRCBBDUOW-HZLZETAISA-N

Molecular Formula

  • C24-H32-O8

Molecular Weight

  • 448.509
 
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Names and Synonyms

Name of Substance

  • 17alpha-Estradiol-3-galacturonide

Systematic Name

  • beta-D-Galactopyranosiduronic acid, (17alpha)-17-hydroxyestra-1,3,5(10)-trien-3-yl

Registry Numbers

CAS Registry Number

  • 63307-54-0

System Generated Number

  • 0063307540

Structure Descriptors

InChI

1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18+,19-,20-,21+,23-,24+/m1/s1

InChIKey

MUOHJTRCBBDUOW-HZLZETAISA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)C(=O)O)c1ccc2[C@@H]3CC[C@@]4([C@@H](CC[C@@H]4[C@@H]3CCc2c1)O)C