Salannin
HIT214320205
sdf文件结构编辑类似物检索
HIT ID: HIT214320205
Cas No: 992-20-1
分子式: C34H44O9
分子量: 596.717
常用名: Salannin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadec-7-en-12-yl (2E)-2-methylbut-2-enoate
IUPAC: (1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-(acetyloxy)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadec-7-en-12-yl (2E)-2-methylbut-2-enoate
SMILES: [H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@]4(C)CO[C@@]([H])([C@@]1([H])O2)[C@]34[H])OC(=O)C(\C)=C\C)c1ccoc1 |c:5|
SMILES: [H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@]4(C)CO[C@@]([H])([C@@]1([H])O2)[C@]34[H])OC(=O)C(\C)=C\C)c1ccoc1 |c:5|
InChI key: CJHBVBNPNXOWBA-REXVOHEDSA-N
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