Information card for entry 7248375

Structure parameters

• Chemical name: Compound 19
• Formula: C25 H34 O5
• Calculated formula: C25 H34 O5
• SMILES: OC1=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(CC=C2C(=O)C)C)C)C)C(C1=O)(C)C.OC
• Title of publication: Sesquiterpenoids and hexanorcucurbitacin from Aquilaria malaccensis agarwood with anti-inflammatory effects by inhibiting the STAT1/AKT/MAPK/NLRP3 pathway
• Authors of publication: Ma, Chi Thanh; Huang, Tianqi; Yu, Jae Sik; Ly, Tu Loan; Vu Huynh, Kim Long; Kwon, Sung Won; Park, Jeong Hill; Yang, Hyun Ok
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 9391 - 9405
• a: 10.0589 ± 0.0002 Å
• b: 14.2921 ± 0.0003 Å
• c: 15.1181 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.42 ± 0.08 ų
• Cell temperature: 99.8 ± 0.7 K
• Ambient diffraction temperature: 99.8 ± 0.7 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No