Information card for entry 7100014

Structure parameters

• Common name: (2S,2aS,4aR,5aS,8aS, 10aR,12aS,12bS,13aR)-4a-hydroxy-2- (1R,2R)-2-hydroxy-1-methyl-2-((2R)-4-methyl-5-oxo-2,5-dihydro-2- furanyl)ethyl-2a,10,10-trimethylperhydrofuro(3,2- b)oxireno(2'',3'':3',3a')indeno(4',5':5,6)-cyclohepta(c)furan-7-one
• Formula: C29 H40 O8
• Calculated formula: C29 H40 O8
• SMILES: O1[C@@H]2CC(=O)O[C@@]32[C@H](C1(C)C)CC[C@@H]1[C@](O)(CC[C@]2([C@@]41O[C@H]4C[C@@H]2[C@H](C)[C@H](O)[C@H]1OC(=O)C(=C1)C)C)C3
• Title of publication: Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha
• Authors of publication: Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 2936 - 2938
• a: 6.501 ± 0.001 Å
• b: 12.672 ± 0.001 Å
• c: 32.201 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2652.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No