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Substance Name: Cortol-3-glucuronide
RN: 85071-10-9
InChIKey: LUNTZWDPLVTVKX-YJTJEMSVSA-N

Molecular Weight

  • 544.6336
 
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Names and Synonyms

Name of Substance

  • Cortol-3-glucuronide

Synonyms

  • 20alpha-Cortol-3-glucuronide
  • 20beta-Cortol-3-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3alpha,5beta,11beta,20S)-11,17,20,21-tetrahydroxypregnan-3-yl, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-

Registry Numbers

CAS Registry Number

  • 85071-10-9

System Generated Number

  • 0085071109

Structure Descriptors

InChI

1S/C27H44O11/c1-24-7-5-13(27(37)22(33)20(32)19(31)21(38-27)23(34)35)9-12(24)3-4-14-15-6-8-26(36,17(30)11-28)25(15,2)10-16(29)18(14)24/h12-22,28-33,36-37H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,16-,17?,18?,19+,20-,21+,22-,24+,25+,26+,27-/m1/s1

InChIKey

LUNTZWDPLVTVKX-YJTJEMSVSA-N

Smiles

C[C@]12CCC(CC1CCC3C2[C@@H](C[C@]4(C3CC[C@@]4(C(CO)O)O)C)O)[C@@]5([C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O