First total synthesis and evaluation of the α-glucosidase inhibitory activity of (±)-methyl dihydromarmesinate, an anti-inflammatory phenylpropanoid from Ficushirta Vahl., and related benzofurans
Paz Armero, Paula K. K.; CALVO, NATALIA L.; Salazar, Mario Oscar; Furlan, R.; Kaufman, Teodoro S.; Bracca, Andrea B.J.; Organic & Biomolecular Chemistry  (2025) –; doi:10.1039/D6OB00365F

data_7161114
_publ_section_title
;
 First total synthesis and evaluation of the &#x3b1;-glucosidase
 inhibitory activity of (&#xb1;)-methyl dihydromarmesinate, an
 anti-inflammatory phenylpropanoid from <i>Ficus hirta</i> Vahl., and
 related benzofurans.
;
_journal_issue                   18
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3905
_journal_page_last               3917
_journal_paper_doi               10.1039/d6ob00365f
_journal_volume                  24
_journal_year                    2026
_chemical_formula_moiety         'C17 H13 I O3'
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_audit_update_record
;
2026-02-27 deposited with the CCDC.	2026-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
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_diffrn_measurement_device_type  'Bruker D8 Quest ECO'
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_diffrn_source                   'Sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (Krause,SADABS-2016/2)
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0339P)^2^+6.5623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1154
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2330
_reflns_number_total             3184
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ob00365f2.cif
_cod_data_source_block           NLC_047_A_2_0ma_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7161114.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7161114
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.508
_shelx_estimated_absorpt_t_max   0.865
_shelx_res_checksum              96527