Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C
                        24
                        H
                        32
                        O
                        4

Zdzislaw Wawrzak; Pawel Grochulski; Zdzislaw Galdecki; Jane F. Griffin; Phyllis D. Strong; William L. Duax

doi:10.1007/BF01161365

Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄

Zdzislaw Wawrzak^*, Pawel Grochulski, Zdzislaw Galdecki, Jane F. Griffin, Phyllis D. Strong, William L. Duax

^*Corresponding author for this work

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Abstract

The X-ray structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17 α-yl acetate is reported. The crystals are monoclinic, space group P2 ₁ , Z=4, a=28.955(7), b=6.597(2), c=11.064(3) Å, /gb=90.80(2) °. The two crystallographically independent molecules have very similar overall geometries. The A rings have intermediate sofa-half-chair conformations and are bent relative to the steroid skeleton. The conformation of the 17 β-progesterone side chain is stabilized by the 17 α-ester substituent; the C(16)-C(17)-C(20)-O(20) torsion angle is -19.4(6) and -20.6(7)°.

Original language	English (US)
Pages (from-to)	65-69
Number of pages	5
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	22
Issue number	1
DOIs	https://doi.org/10.1007/BF01161365
State	Published - Feb 1 1992

ASJC Scopus subject areas

Structural Biology
Condensed Matter Physics
Spectroscopy

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Wawrzak, Z., Grochulski, P., Galdecki, Z., Griffin, J. F., Strong, P. D., & Duax, W. L. (1992). Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄ Journal of Crystallographic and Spectroscopic Research, 22(1), 65-69. https://doi.org/10.1007/BF01161365

Wawrzak, Zdzislaw ; Grochulski, Pawel ; Galdecki, Zdzislaw et al. / Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄ In: Journal of Crystallographic and Spectroscopic Research. 1992 ; Vol. 22, No. 1. pp. 65-69.

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title = " Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C 24 H 32 O 4 ",

abstract = " The X-ray structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17 α-yl acetate is reported. The crystals are monoclinic, space group P2 1 , Z=4, a=28.955(7), b=6.597(2), c=11.064(3) {\AA}, /gb=90.80(2) °. The two crystallographically independent molecules have very similar overall geometries. The A rings have intermediate sofa-half-chair conformations and are bent relative to the steroid skeleton. The conformation of the 17 β-progesterone side chain is stabilized by the 17 α-ester substituent; the C(16)-C(17)-C(20)-O(20) torsion angle is -19.4(6) and -20.6(7)°.",

author = "Zdzislaw Wawrzak and Pawel Grochulski and Zdzislaw Galdecki and Griffin, {Jane F.} and Strong, {Phyllis D.} and Duax, {William L.}",

year = "1992",

month = feb,

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doi = "10.1007/BF01161365",

language = "English (US)",

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Wawrzak, Z, Grochulski, P, Galdecki, Z, Griffin, JF, Strong, PD & Duax, WL 1992, ' Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄ ', Journal of Crystallographic and Spectroscopic Research, vol. 22, no. 1, pp. 65-69. https://doi.org/10.1007/BF01161365

Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄ . / Wawrzak, Zdzislaw; Grochulski, Pawel; Galdecki, Zdzislaw et al.
In: Journal of Crystallographic and Spectroscopic Research, Vol. 22, No. 1, 01.02.1992, p. 65-69.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C 24 H 32 O 4

AU - Wawrzak, Zdzislaw

AU - Grochulski, Pawel

AU - Galdecki, Zdzislaw

AU - Griffin, Jane F.

AU - Strong, Phyllis D.

AU - Duax, William L.

PY - 1992/2/1

Y1 - 1992/2/1

N2 - The X-ray structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17 α-yl acetate is reported. The crystals are monoclinic, space group P2 1 , Z=4, a=28.955(7), b=6.597(2), c=11.064(3) Å, /gb=90.80(2) °. The two crystallographically independent molecules have very similar overall geometries. The A rings have intermediate sofa-half-chair conformations and are bent relative to the steroid skeleton. The conformation of the 17 β-progesterone side chain is stabilized by the 17 α-ester substituent; the C(16)-C(17)-C(20)-O(20) torsion angle is -19.4(6) and -20.6(7)°.

AB - The X-ray structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17 α-yl acetate is reported. The crystals are monoclinic, space group P2 1 , Z=4, a=28.955(7), b=6.597(2), c=11.064(3) Å, /gb=90.80(2) °. The two crystallographically independent molecules have very similar overall geometries. The A rings have intermediate sofa-half-chair conformations and are bent relative to the steroid skeleton. The conformation of the 17 β-progesterone side chain is stabilized by the 17 α-ester substituent; the C(16)-C(17)-C(20)-O(20) torsion angle is -19.4(6) and -20.6(7)°.

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Wawrzak Z, Grochulski P, Galdecki Z, Griffin JF, Strong PD, Duax WL. Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄ Journal of Crystallographic and Spectroscopic Research. 1992 Feb 1;22(1):65-69. doi: 10.1007/BF01161365

Structure of 6-methyl-3,20-dioxo-4,6-pregnadien-17α-yl acetate, C ₂₄ H ₃₂ O ₄

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