Name: Bruceine C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214313295
Cas No:25514-30-1
常用名:Bruceine C
IUPAC:methyl (1R,2S,3R,6R,8R,13S,15R,16S)-10,15,16-trihydroxy-3-{[(2Z)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy}-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
IUPAC:methyl (1R,2S,3R,6R,8R,13S,15R,16S)-10,15,16-trihydroxy-3-{[(2Z)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy}-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
InChI key:KCVFVYXSNLKEHU-GEVKOXJASA-N

分子式:C28H36O12
分子量:564.584
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(\C)C(C)(C)O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)C4[C@@H](O)[C@@H]2O |t:29|
SMILES:COC(=O)C12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(\C)C(C)(C)O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)C4[C@@H](O)[C@@H]2O |t:29|

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