HIT ID: HIT106217146
Cas No:
分子式: C30H42N2O7
分子量: 542.673
常用名: N-Deacetyllapaconitine
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 1.920000000000000e+000
IUPAC: 11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl 2-aminobenzoate
IUPAC: 11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl 2-aminobenzoate
SMILES: CCN1CC2(CCC(OC)C34C5CC6C(OC)C5(O)C(O)(CC6OC)C(CC23)C14)OC(=O)c1ccccc1N |TLB:29:4:10:25.26,7:10:4.2.3:25.26,5:4:10:25.26,15:14:19.22.21:12.11,THB:2:28:19.17.11:27.26,1:2:10:25.26,19:25:10:4.2.3,11:10:4.2.3:25.26,26:27:7.6.5:28.2.3|
SMILES: CCN1CC2(CCC(OC)C34C5CC6C(OC)C5(O)C(O)(CC6OC)C(CC23)C14)OC(=O)c1ccccc1N |TLB:29:4:10:25.26,7:10:4.2.3:25.26,5:4:10:25.26,15:14:19.22.21:12.11,THB:2:28:19.17.11:27.26,1:2:10:25.26,19:25:10:4.2.3,11:10:4.2.3:25.26,26:27:7.6.5:28.2.3|
InChI key: VSUODASNSRJNCP-UHFFFAOYSA-N
