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Substance Name: 3beta,15beta,17alpha-Trihydroxy-5-pregnen-20-one
RN: 80380-40-1
InChIKey: VWUZUCWRCBMJNW-YZUCACDQSA-N

Note

  • Found in urine of newborn infants.

Molecular Weight

  • 348.4798
 
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Names and Synonyms

Name of Substance

  • 3beta,15beta,17alpha-Trihydroxy-5-pregnen-20-one

Synonym

  • 3,15,17-Thp-20

Systematic Name

  • Pregn-5-en-20-one, 3,15,17-trihydroxy-, (3beta,15beta)-

Registry Numbers

CAS Registry Number

  • 80380-40-1

System Generated Number

  • 0080380401

Structure Descriptors

InChI

1S/C21H32O4/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/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m0/s1

InChIKey

VWUZUCWRCBMJNW-YZUCACDQSA-N

Smiles

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