Name: Demethyl calyciphylline A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315826
Cas No:1584236-34-9
常用名:Demethyl calyciphylline A
IUPAC:(1R,2S,3R,5R,6S,8S,10S,16R,17R)-2,6-dimethyl-8,20-dioxo-8lambda5-azahexacyclo[11.5.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{16,19}]icos-13(19)-ene-17-carboxylic acid
IUPAC:(1R,2S,3R,5R,6S,8S,10S,16R,17R)-2,6-dimethyl-8,20-dioxo-8lambda5-azahexacyclo[11.5.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{16,19}]icos-13(19)-ene-17-carboxylic acid
InChI key:RYVGXCFPXHFNSQ-WDLURPSESA-N

分子式:C22H29NO4
分子量:371.477
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CCC3=C1[C@@]1(C[C@H]2C(O)=O)C(=O)[C@@H]2C[C@]4([H])[C@@]1(C)[C@@]([H])(C[N@@]4(=O)C[C@H]2C)CC3 |c:4,TLB:7:6:15:23.26.25,27:26:15:18.6.12,THB:19:18:15:23.26.25,5:6:15:23.26.25,20:18:15:23.26.25|
SMILES:[H][C@]12CCC3=C1[C@@]1(C[C@H]2C(O)=O)C(=O)[C@@H]2C[C@]4([H])[C@@]1(C)[C@@]([H])(C[N@@]4(=O)C[C@H]2C)CC3 |c:4,TLB:7:6:15:23.26.25,27:26:15:18.6.12,THB:19:18:15:23.26.25,5:6:15:23.26.25,20:18:15:23.26.25|

Demethyl calyciphylline A is a natural product from Daphniphyllum longeracemosum K.

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