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Substance Name: 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol
RN: 86532-89-0
InChIKey: MUZPJQUWDXQPLR-APGJSSKUSA-N

Note

  • Acetylenic steroid mechanism-based inhibitor of cytochrome P-450 cholesterol side chain cleavage.

Molecular Weight

  • 394.595
 
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Names and Synonyms

Name of Substance

  • 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol

Synonym

  • HDYPD

Systematic Name

  • Pregn-5-ene-3,20-diol, 20-(1,5-hexadiynyl)-, (3beta,20R)-

Registry Numbers

CAS Registry Number

  • 86532-89-0

System Generated Number

  • 0086532890

Structure Descriptors

InChI

1S/C27H38O2/c1-5-6-7-8-15-27(4,29)24-12-11-22-21-10-9-19-18-20(28)13-16-25(19,2)23(21)14-17-26(22,24)3/h1,9,20-24,28-29H,6-7,10-14,16-18H2,2-4H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

MUZPJQUWDXQPLR-APGJSSKUSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@](C)(O)C#CCCC#C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O