Structure 4033856

4033812 << 4033856 >> 4034025
Original COD entry Download CIF Download DOT

Citation: Pflug, Nicholas C.; Patterson, Eric V.; Martinovi\'c-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H. (2019). Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.. The Journal of organic chemistry, 84, pp. 11366-11371.

Formula: C21 H27 O2.5

Chemical name: 2a-hydroxy-10e-methyl-1a,2,2a,3,4,4a,4b,5,6,9,10,10c,10d,10e-tetradecahydrocyclobuta[3,4]cyclopenta[1,7]indeno[5,6-a]naphthalen-8(1H)-one hydrate

Cell parameters:

  • a = 15.63070(10) Å
  • b = 15.63070(10) Å
  • c = 12.53510(10) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 6, entity 7 of 1

Basis: (0;0;1)

Dimensionality: 1

Formula: H24 O12 (H2 O)

Multiplicity: 1

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