HIT ID: HIT214311499
Cas No: 1186496-68-3
分子式: C30H47NO4
分子量: 485.709
常用名: 11-Hydroxycodaphniphylline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(1R,4S,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7S,8R,10S,13S,14R)-8-hydroxy-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]propan-1-one
IUPAC: 1-[(1R,4S,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7S,8R,10S,13S,14R)-8-hydroxy-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]propan-1-one
SMILES: CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N5C3 |TLB:7:6:12.16:32,10:12:32:6.8.34,13:12:32:6.8.34,THB:3:32:12.16:6.8.34,5:6:12.16:32,9:8:12.16:32,9:8:3.4.5:17,12:33:3.4.5:17,15:16:32:6.8.34,20:22:28.29:31,23:22:28.29:31|
SMILES: CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N5C3 |TLB:7:6:12.16:32,10:12:32:6.8.34,13:12:32:6.8.34,THB:3:32:12.16:6.8.34,5:6:12.16:32,9:8:12.16:32,9:8:3.4.5:17,12:33:3.4.5:17,15:16:32:6.8.34,20:22:28.29:31,23:22:28.29:31|
InChI key: JENRSDUHJGGCGW-APKYWGSKSA-N
