Name: Nagarine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314567
Cas No:41849-35-8
常用名:Nagarine
别名:10-羟基乌头碱
IUPAC:(2S,4R,5R,6S,7S,8S,13R,14R,16S,17R,18R)-8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-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 benzoate
IUPAC:(2S,4R,5R,6S,7S,8S,13R,14R,16S,17R,18R)-8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-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 benzoate
InChI key:GMSKTJVHWUUOMY-RAZXQLKPSA-N

分子式:C34H47NO12
分子量:661.745
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(OC(=O)c2ccccc2)C2[C@@]3(O)C[C@]1(O)[C@@H](OC)[C@H](O)[C@]2(OC(C)=O)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)[C@H](O)C[C@@H]3OC |TLB:13:12:34:31.28,12:33:39.38.35:27.28,39:31:34:12.22.11,36:35:33:27.28,28:31:38.35.34:43.45.46,22:27:33:39.38.35,1:11:34:31.28,14:12:34:31.28,THB:35:34:31.28:12.22.11,29:28:34:12.22.11,29:28:33:39.38.35,23:22:34:31.28,2:1:12.14:22.17.20,20:22:34:31.28,43:39:33:27.28,46:33:39.38.35:27.28|
SMILES:[H][C@]1(OC(=O)c2ccccc2)C2[C@@]3(O)C[C@]1(O)[C@@H](OC)[C@H](O)[C@]2(OC(C)=O)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)[C@H](O)C[C@@H]3OC |TLB:13:12:34:31.28,12:33:39.38.35:27.28,39:31:34:12.22.11,36:35:33:27.28,28:31:38.35.34:43.45.46,22:27:33:39.38.35,1:11:34:31.28,14:12:34:31.28,THB:35:34:31.28:12.22.11,29:28:34:12.22.11,29:28:33:39.38.35,23:22:34:31.28,2:1:12.14:22.17.20,20:22:34:31.28,43:39:33:27.28,46:33:39.38.35:27.28|

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