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Substance Name: 3,15,17-Trihydroxypregnan-20-one
RN: 80380-41-2
InChIKey: AIEUQVDPBZPTSV-VSAGWDKDSA-N

Note

  • Found in urine of newborn infants.

Molecular Weight

  • 350.4956
 
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Names and Synonyms

Name of Substance

  • 3,15,17-Trihydroxypregnan-20-one

Synonyms

  • 3,15,17-TH-5P
  • 3,15,17-Trihydoxy-5alpha-pregnan-20-one
  • 3alpha,15beta,17alpha-Trihydroxy-5beta-pregnan-20-one

Systematic Name

  • Pregnan-20-one, 3,15,17-trihydroxy-, (3alpha,5beta,15beta)-

Registry Numbers

CAS Registry Number

  • 80380-41-2

System Generated Number

  • 0080380412

Structure Descriptors

InChI

1S/C21H34O4/c1-12(22)21(25)11-17(24)18-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(18,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20+,21+/m1/s1

InChIKey

AIEUQVDPBZPTSV-VSAGWDKDSA-N

Smiles

CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O