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Substance Name: Pregnanediol glucuronide
RN: 38055-17-3
InChIKey: ZFFFJLDTCLJDHL-JQYCEVDMSA-N

Molecular Formula

  • C27-H44-O8

Molecular Weight

  • 496.6366
 
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Names and Synonyms

Results Name

  • Pregnanediol glucuronide

Synonym

  • Pregnanediol glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3alpha,5beta,20S)-3(or 20)-hydroxypregnan-20(or 3)-yl

Registry Numbers

CAS Registry Number

  • 38055-17-3

System Generated Number

  • 0038055173

Structure Descriptors

InChI

1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1

InChIKey

ZFFFJLDTCLJDHL-JQYCEVDMSA-N

Smiles

[C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]1C[C@@H]2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](O)C)(CC3)C)CC2)(CC1)C)C(=O)O