NMR STUDY ON THE REACTION OF REARRANGEMENT OF 17β-HYDROXY-7α-METHYL-19-NOR-17-α-PREGN-5(10)-EN-20YN-3-ONE

Chinese Journal of Magnetic Resonance ›› 2000, Vol. 17 ›› Issue (1): 17-22.

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NMR STUDY ON THE REACTION OF REARRANGEMENT OF 17β-HYDROXY-7α-METHYL-19-NOR-17-α-PREGN-5(10)-EN-20YN-3-ONE

XU Hao², LIU Xuehui¹, CUI Yuxin¹, ZHAO Min³, SHEN Jiaxiang³

1 National Laboratory of Natural and Biomimetic Drugs, Medical and Healthy Analysis Center, Beijing Medical University, Beijing 100083;
2 College of Chemistry and Molecular Engineering, Peking University, beijing 100871;
3 Beijing Jicai Medical Institute, Beijing 100083

Received:1999-09-02 Revised:1999-10-14 Published:2000-02-05 Online:2018-01-10

Abstract

Abstract: When being put into CDCl₃ (slightly acidic condition), the double bond of steroid drug (LIVIAL) will rearrange 24 hours. This paper shows that the 2D NMR techniques were successfully performed to determine the structures of compound 1 and compound 2. All of the ¹H and ¹³C NNR chemical shifts were assigned by 1D and 2D NMR. Their stereochemistry was discussed, too. The structures of compound 1 and compound 2 were simulated by computer molecular modeling. Their results agree with those of 2D NMR.

Key words: Steroid, Reaction of Rearrangement, NMR

XU Hao, LIU Xuehui, CUI Yuxin, ZHAO Min, SHEN Jiaxiang. NMR STUDY ON THE REACTION OF REARRANGEMENT OF 17β-HYDROXY-7α-METHYL-19-NOR-17-α-PREGN-5(10)-EN-20YN-3-ONE[J]. Chinese Journal of Magnetic Resonance, 2000, 17(1): 17-22.

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NMR STUDY ON THE REACTION OF REARRANGEMENT OF 17β-HYDROXY-7α-METHYL-19-NOR-17-α-PREGN-5(10)-EN-20YN-3-ONE

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