Cimilactone A
HIT214315716
sdf文件结构编辑类似物检索
HIT ID: HIT214315716
Cas No: 468733-06-4
分子式: C33H50O9
分子量: 590.754
常用名: Cimilactone A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3R,4R,5R,6R,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-oxo-18-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-3-yl acetate
IUPAC: (1R,3R,4R,5R,6R,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-oxo-18-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-3-yl acetate
SMILES: [H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)CC(=O)O2)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
SMILES: [H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)CC(=O)O2)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
InChI key: RKTWPXXLEHCPIO-DWWJFHMPSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
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