Name: Physalin G
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316114
Cas No:76045-38-0
常用名:Physalin G
IUPAC:(1R,2S,5S,8S,9R,15R,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacosa-11,13-diene-4,10,22,29-tetrone
IUPAC:(1R,2S,5S,8S,9R,15R,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacosa-11,13-diene-4,10,22,29-tetrone
InChI key:CGVBSJOSWAZUIF-NHEONHGESA-N

分子式:C28H30O10
分子量:526.538
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C(=O)[C@]34O[C@]11[C@@](C)(OC(=O)[C@]1(O)CC[C@@]1([H])[C@@]3([H])C[C@@H](O)C3=CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)[C@@]([H])(CO4)C(=O)O1 |c:28,t:26,THB:12:6:33.35.37.38:2|
SMILES:[H][C@@]12C(=O)[C@]34O[C@]11[C@@](C)(OC(=O)[C@]1(O)CC[C@@]1([H])[C@@]3([H])C[C@@H](O)C3=CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)[C@@]([H])(CO4)C(=O)O1 |c:28,t:26,THB:12:6:33.35.37.38:2|

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