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First crystal structure of a pentacyclic biomarker: 4,4,6a,12b,14b-Pentamethyl-1,2,3,4,4a,5,6,6a,6b,7, 8,12b,13,14,14a,14b-hexadecahydropicen-3β-ol

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Abstract

The crystal structure of the title compound (1, C27H40O ⋅ 1/8 H2O) synthesized via photo-induced electron transfer promoted biomimetic cascade cyclization, is reported. Compound 1 crystallizes in the monoclinic space group C2/c, with cell parameters a = 53.982(4), b = 7.1889(6), c = 11.170(1) Å, β = 96.86(1). The structure adopts a fully trans-fused ring junction with all methyl groups axially oriented. The geometrical aspects associated with 1 were discussed and compared with the previously determined X-ray data for structurally analogous compounds.

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Authors and Affiliations

  1. Max-Planck-Institut für Strahlenchemie, D-45413, Mülheim an der Ruhr, Germany

    Jorge L. Zambrano, Viale Rosales, Heike Schucht, Thomas Weyhermüller & Martin Demuth

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  1. Jorge L. Zambrano
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  2. Viale Rosales
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  3. Heike Schucht
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  4. Thomas Weyhermüller
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  5. Martin Demuth
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Correspondence to Martin Demuth.

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Zambrano, J.L., Rosales, V., Schucht, H. et al. First crystal structure of a pentacyclic biomarker: 4,4,6a,12b,14b-Pentamethyl-1,2,3,4,4a,5,6,6a,6b,7, 8,12b,13,14,14a,14b-hexadecahydropicen-3β-ol. Journal of Chemical Crystallography 32, 391–394 (2002). https://doi.org/10.1023/A:1020293105328

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  • DOI: https://doi.org/10.1023/A:1020293105328

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