Name: Forestine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317299
Cas No:91794-14-8
常用名:Forestine
IUPAC:(2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-5,8-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl 4-methoxybenzoate
IUPAC:(2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-5,8-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl 4-methoxybenzoate
InChI key:BDDLZZSRQWCCDP-HLGKRQIGSA-N

分子式:C33H47NO9
分子量:601.737
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccc(OC)cc4)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](CC[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:42:41:32:25.27,19:25:32:36.40.41,1:32:36.40.41:25.27,2:1:44:30.27,5:17:44:30.27,THB:33:32:36.40.41:25.27,37:36:32:25.27,41:44:30.27:19.17.1,27:30:40.41.44:33.35.34,28:27:32:36.40.41,28:27:44:19.17.1,20:19:44:30.27,6:5:1.2:19.22.21,21:19:44:30.27,35:36:32:25.27|
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccc(OC)cc4)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](CC[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:42:41:32:25.27,19:25:32:36.40.41,1:32:36.40.41:25.27,2:1:44:30.27,5:17:44:30.27,THB:33:32:36.40.41:25.27,37:36:32:25.27,41:44:30.27:19.17.1,27:30:40.41.44:33.35.34,28:27:32:36.40.41,28:27:44:19.17.1,20:19:44:30.27,6:5:1.2:19.22.21,21:19:44:30.27,35:36:32:25.27|

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