Name: Anthriscifoldine B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214311319
Cas No:1158213-52-5
常用名:Anthriscifoldine B
IUPAC:(2S,3S,5S,6S,8R,16S,19S,20R)-14-ethyl-6,19-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosane-2,4-diol
IUPAC:(2S,3S,5S,6S,8R,16S,19S,20R)-14-ethyl-6,19-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosane-2,4-diol
InChI key:BQAIPUYVXFRLNA-JVHUBKRZSA-N

分子式:C25H39NO7
分子量:465.587
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3(O)[C@]([H])(C1O)[C@@]1(C[C@@H]2OC)OCOC11C[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:4:3:19.18:22,3:21:27.26.23:18.17,18:19:33.32.31:26.23.22,27:19:22:3.9.5,24:23:21:18.17,9:17:21:27.26.23,7:5:19.18:22,8:7:9.10.11:3.2,2:3:19.18:22,THB:28:27:21:18.17,23:22:19.18:3.9.5,33:21:27.26.23:18.17,31:27:21:18.17,10:9:19.18:22,14:9:19.18:22,16:17:21:27.26.23|
SMILES:[H][C@]12C[C@]3(O)[C@]([H])(C1O)[C@@]1(C[C@@H]2OC)OCOC11C[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:4:3:19.18:22,3:21:27.26.23:18.17,18:19:33.32.31:26.23.22,27:19:22:3.9.5,24:23:21:18.17,9:17:21:27.26.23,7:5:19.18:22,8:7:9.10.11:3.2,2:3:19.18:22,THB:28:27:21:18.17,23:22:19.18:3.9.5,33:21:27.26.23:18.17,31:27:21:18.17,10:9:19.18:22,14:9:19.18:22,16:17:21:27.26.23|

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