Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C26H38O4

Zdzisław Wawrzak; Paweł Grochulski; Zdzisław Gałdecki; William L. Duax; Phyllis D. Strong; D. N. Kirk

doi:10.1007/BF01161089

Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C₂₆H₃₈O₄

Zdzisław Wawrzak^*, Paweł Grochulski, Zdzisław Gałdecki, William L. Duax, Phyllis D. Strong, D. N. Kirk

^*Corresponding author for this work

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

Abstract

The title compound crystallizes in space group P2₁2₁2₁ with lattice constants a=16.253(3), b=17.107(3), and c=8.486(2) Å. The A ring has 1 α,2 β-half-chair conformation. The calculated steric energy of a 6 α-methyl-17 α-ester progesterone molecule is lower by about 4 kJ/mol for the normal A-ring conformation. The progesterone side chain has typical conformation for 17 α-ester steroids; the C(16)-C(17)-C(20)-O(20) torsion angle is -24.9(4)°.

Original language	English (US)
Pages (from-to)	649-652
Number of pages	4
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	21
Issue number	5
DOIs	https://doi.org/10.1007/BF01161089
State	Published - Oct 1991

ASJC Scopus subject areas

Structural Biology
Condensed Matter Physics
Spectroscopy

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@article{cb1bbf7e86fa4c38adec7a0fb39fcf69,

title = "Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C26H38O4",

abstract = "The title compound crystallizes in space group P212121 with lattice constants a=16.253(3), b=17.107(3), and c=8.486(2) {\AA}. The A ring has 1 α,2 β-half-chair conformation. The calculated steric energy of a 6 α-methyl-17 α-ester progesterone molecule is lower by about 4 kJ/mol for the normal A-ring conformation. The progesterone side chain has typical conformation for 17 α-ester steroids; the C(16)-C(17)-C(20)-O(20) torsion angle is -24.9(4)°.",

author = "Zdzis{\l}aw Wawrzak and Pawe{\l} Grochulski and Zdzis{\l}aw Ga{\l}decki and Duax, {William L.} and Strong, {Phyllis D.} and Kirk, {D. N.}",

year = "1991",

month = oct,

doi = "10.1007/BF01161089",

language = "English (US)",

volume = "21",

pages = "649--652",

journal = "Journal of Crystallographic and Spectroscopic Research",

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publisher = "Springer",

number = "5",

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TY - JOUR

T1 - Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C26H38O4

AU - Wawrzak, Zdzisław

AU - Grochulski, Paweł

AU - Gałdecki, Zdzisław

AU - Duax, William L.

AU - Strong, Phyllis D.

AU - Kirk, D. N.

PY - 1991/10

Y1 - 1991/10

N2 - The title compound crystallizes in space group P212121 with lattice constants a=16.253(3), b=17.107(3), and c=8.486(2) Å. The A ring has 1 α,2 β-half-chair conformation. The calculated steric energy of a 6 α-methyl-17 α-ester progesterone molecule is lower by about 4 kJ/mol for the normal A-ring conformation. The progesterone side chain has typical conformation for 17 α-ester steroids; the C(16)-C(17)-C(20)-O(20) torsion angle is -24.9(4)°.

AB - The title compound crystallizes in space group P212121 with lattice constants a=16.253(3), b=17.107(3), and c=8.486(2) Å. The A ring has 1 α,2 β-half-chair conformation. The calculated steric energy of a 6 α-methyl-17 α-ester progesterone molecule is lower by about 4 kJ/mol for the normal A-ring conformation. The progesterone side chain has typical conformation for 17 α-ester steroids; the C(16)-C(17)-C(20)-O(20) torsion angle is -24.9(4)°.

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U2 - 10.1007/BF01161089

DO - 10.1007/BF01161089

M3 - Article

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SN - 0277-8068

VL - 21

SP - 649

EP - 652

JO - Journal of Crystallographic and Spectroscopic Research

JF - Journal of Crystallographic and Spectroscopic Research

IS - 5

ER -

Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C₂₆H₃₈O₄

Abstract

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