Name: Daphniyunnine A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885116
Cas No:881388-87-0
常用名:Daphniyunnine A
IUPAC:methyl (1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{16,19}]icos-13(19)-ene-17-carboxylate
IUPAC:methyl (1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{16,19}]icos-13(19)-ene-17-carboxylate
InChI key:UMIPHFQOKSWKPK-ZGIUMOQOSA-N

分子式:C23H31NO3
分子量:369.505
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CC[C@@H]1CN4C[C@@H](C)[C@@H](C[C@@H]4[C@]21C)C3=O |t:7,TLB:7:6:16.17.18:21,14:23:16.17.18:21,19:18:21:6.23.25,24:23:16.17.18:21,THB:5:6:16.17.18:21,15:16:21:6.23.25|
SMILES:COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CC[C@@H]1CN4C[C@@H](C)[C@@H](C[C@@H]4[C@]21C)C3=O |t:7,TLB:7:6:16.17.18:21,14:23:16.17.18:21,19:18:21:6.23.25,24:23:16.17.18:21,THB:5:6:16.17.18:21,15:16:21:6.23.25|

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