HIT ID: HIT214315721
Cas No: 2065228-63-7
分子式: C31H43NO8
分子量: 557.684
常用名: Carmichaenine E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,4R,5S,6S,8S,13S,16S,17R,18R)-11-ethyl-2,4,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl benzoate
IUPAC: (2S,4R,5S,6S,8S,13S,16S,17R,18R)-11-ethyl-2,4,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl benzoate
SMILES: [H][C@@]1(O)[C@@H]2C[C@]3(O)C1[C@@](C[C@@H]2OC)(OC(=O)c1ccccc1)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3O |TLB:6:5:1:8.10.9,6:5:29:23.26,5:28:22.23:34.33.30,23:26:29.33.30:38.39.40,34:26:29:5.8.7,31:30:28:22.23,8:22:28:34.33.30,1:7:29:23.26,4:5:29:23.26,THB:24:23:29:5.8.7,24:23:28:34.33.30,35:34:28:22.23,30:29:23.26:5.8.7,38:34:28:22.23,40:28:22.23:34.33.30,13:8:29:23.26,9:8:29:23.26|
SMILES: [H][C@@]1(O)[C@@H]2C[C@]3(O)C1[C@@](C[C@@H]2OC)(OC(=O)c1ccccc1)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3O |TLB:6:5:1:8.10.9,6:5:29:23.26,5:28:22.23:34.33.30,23:26:29.33.30:38.39.40,34:26:29:5.8.7,31:30:28:22.23,8:22:28:34.33.30,1:7:29:23.26,4:5:29:23.26,THB:24:23:29:5.8.7,24:23:28:34.33.30,35:34:28:22.23,30:29:23.26:5.8.7,38:34:28:22.23,40:28:22.23:34.33.30,13:8:29:23.26,9:8:29:23.26|
InChI key: XEZIAMZSYPGGSD-AIWHEWEDSA-N
