Decinnamoyltaxagifine
HIT213886900
sdf文件结构编辑类似物检索
HIT ID: HIT213886900
Cas No:
分子式: C28H38O12
分子量: 566.6
常用名: Decinnamoyltaxagifine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,6-tris(acetyloxy)-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-11-yl acetate
IUPAC: (1R,2R,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,6-tris(acetyloxy)-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-11-yl acetate
SMILES: CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C |TLB:27:26:16.17.18:22.23,28:26:16.17.18:22.23|
SMILES: CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C |TLB:27:26:16.17.18:22.23,28:26:16.17.18:22.23|
InChI key: NFUTVRWRWMCUTE-ANSMBRFYSA-N
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