Information card for entry 7100015

Structure parameters

• Formula: C58 H96 O24
• Calculated formula: C58 H96 O24
• SMILES: [C@H]12CC(=O)O[C@]31[C@@H](C(C)(C)O2)CC[C@H]1[C@@](CC[C@@]2([C@]1([C@@H](C[C@H]2[C@@H](C)[C@H]([C@H]1C=C(C(=O)O1)C)O)O)O)C)(C3)O.O.O.O
• 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: 7.878 ± 0.0016 Å
• b: 10.483 ± 0.002 Å
• c: 18.484 ± 0.004 Å
• α: 84.67 ± 0.03°
• β: 80.14 ± 0.03°
• γ: 89.66 ± 0.03°
• Cell volume: 1497.4 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No