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Substance Name: Diethylstilbestrol bisglucuronide
RN: 53915-13-2
InChIKey: GLYFELVFXJPMLG-QNUMSDSXSA-N

Molecular Formula

  • C30-H36-O14

Molecular Weight

  • 620.6
 
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Names and Synonyms

Name of Substance

  • Diethylstilbestrol bisglucuronide

Synonym

  • Diethylstilbestrol diglucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (1,2-diethyl-1,2-ethenediyl)di-4,1-phenylene bis-, (E)-

Registry Numbers

CAS Registry Number

  • 53915-13-2

System Generated Number

  • 0053915132

Structure Descriptors

InChI

1S/C30H36O14/c1-3-17(13-5-9-15(10-6-13)41-29-23(35)19(31)21(33)25(43-29)27(37)38)18(4-2)14-7-11-16(12-8-14)42-30-24(36)20(32)22(34)26(44-30)28(39)40/h5-12,19-26,29-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)/b18-17+/t19-,20-,21-,22-,23+,24+,25-,26-,29+,30+/m0/s1

InChIKey

GLYFELVFXJPMLG-QNUMSDSXSA-N

Smiles

C(=C(\CC)c1ccc(cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)(\CC)c1ccc(cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O