Khayalenoid E
HIT214315996
sdf文件结构编辑类似物检索
HIT ID: HIT214315996
Cas No: 1220508-29-1
分子式: C29H34O9
分子量: 526.582
常用名: Khayalenoid E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S)-2-(acetyloxy)-2-[(1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0^{2,11}.0^{5,10}]heptadec-11-en-16-yl]acetate
IUPAC: methyl (2S)-2-(acetyloxy)-2-[(1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0^{2,11}.0^{5,10}]heptadec-11-en-16-yl]acetate
SMILES: [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])C1=C[C@@]1([H])C(=O)C(C)(C)[C@]([H])([C@H](OC(C)=O)C(=O)OC)[C@]2(C)C1=O)c1ccoc1 |c:15,TLB:24:22:1.13.14:35,THB:2:1:35:17.19.22|
SMILES: [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])C1=C[C@@]1([H])C(=O)C(C)(C)[C@]([H])([C@H](OC(C)=O)C(=O)OC)[C@]2(C)C1=O)c1ccoc1 |c:15,TLB:24:22:1.13.14:35,THB:2:1:35:17.19.22|
InChI key: YEAXMHFWUBJUEN-GYFLQMTFSA-N
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