Name: 1-O-Deacetylkhayanolide E
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315490
Cas No:1007387-95-2
常用名:1-O-Deacetylkhayanolide E
IUPAC:methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0^{2,14}.0^{3,12}.0^{4,18}.0^{7,12}]nonadecan-17-yl]-2-hydroxyacetate
IUPAC:methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3-dihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0^{2,14}.0^{3,12}.0^{4,18}.0^{7,12}]nonadecan-17-yl]-2-hydroxyacetate
InChI key:HOUJKWFMLMSPNW-DUHTYQCCSA-N

分子式:C27H32O10
分子量:516.543
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]34CC(=O)O[C@@]([H])(c5ccoc5)[C@]3(C)CC[C@]3([H])[C@]5(C)[C@@]([H])([C@H](O)C(=O)OC)[C@@](C)(C[C@]5(O)[C@@]1([H])[C@]43O)C2=O |TLB:38:36:33:21.23,22:21:36.1.40:33,2:1:33:21.23,25:23:36.1.40:33,THB:19:21:36.1.40:33|
SMILES:[H][C@@]12O[C@]34CC(=O)O[C@@]([H])(c5ccoc5)[C@]3(C)CC[C@]3([H])[C@]5(C)[C@@]([H])([C@H](O)C(=O)OC)[C@@](C)(C[C@]5(O)[C@@]1([H])[C@]43O)C2=O |TLB:38:36:33:21.23,22:21:36.1.40:33,2:1:33:21.23,25:23:36.1.40:33,THB:19:21:36.1.40:33|

1-O-Deacetylkhayanolide E是一种天然产物，属于楝科非洲楝属，其产品编号为 TN2558，CAS号为 1007387-95-2。1-O-Deacetylkhayanolide E可用作对照参考。

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