Structure of 3β, 20‐diacetoxy‐16α‐methyl‐allopregn‐17(20)‐ene | Zendy

Singh Attar | Zendy; Gupta Vivek K. | Zendy; Goswami K. N. | Zendy

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Structure of 3β, 20‐diacetoxy‐16α‐methyl‐allopregn‐17(20)‐ene

Author(s) -

Singh Attar,

Gupta Vivek K.,

Goswami K. N.

Publication year - 1994

Publication title -

crystal research and technology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.377

H-Index - 64

eISSN - 1521-4079

pISSN - 0232-1300

DOI - 10.1002/crat.2170290612

Subject(s) - orthorhombic crystal system , chemistry , ene reaction , ring (chemistry) , stereochemistry , crystal structure , cyclohexane conformation , envelope (radar) , crystallography , molecule , hydrogen bond , organic chemistry , radar , computer science , telecommunications

C 26 H 40 O 4 , a steroid (3β, 20‐diacetoxy‐16α‐methyl‐allopregn‐17(20)‐ene) crystallizes in the orthorhombic space group P2 1 2 1 2 1 . The unit cell parameters are a = 10.745(2), b = 11.190(3), c = 20.208(1) Å. The structure has been elucidated by direct methods. The final residual index ( R ) converges to 0.042, weighted residual index ( wR ) being 0.044. Rings A and B adopt normal chair conformation whereas ring C is found to be very close to chair and ring D exists in 14α‐envelope conformation. The ring junctions A/B, B/C, C/D are trans ‐fused about the bonds C5–C10, C8–C9 and C123–C14, respectively.

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