Shizukaol B
HIT214316187
sdf文件结构编辑类似物检索
HIT ID: HIT214316187
Cas No: 142279-40-1
分子式: C40H44O13
分子量: 732.779
常用名: Shizukaol B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl 2-[(1S,13Z,18S,19S,21R,22S,23S,26S,28R,29S,30R,32Z,33R,36R)-18,30-dihydroxy-14,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.1^{25,29}.0^{1,23}.0^{4,34}.0^{19,21}.0^{22,36}.0^{26,28}.0^{33,37}]heptatriaconta-4(34),13,25(37)-trien-32-ylidene]propanoate
IUPAC: methyl 2-[(1S,13Z,18S,19S,21R,22S,23S,26S,28R,29S,30R,32Z,33R,36R)-18,30-dihydroxy-14,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.1^{25,29}.0^{1,23}.0^{4,34}.0^{19,21}.0^{22,36}.0^{26,28}.0^{33,37}]heptatriaconta-4(34),13,25(37)-trien-32-ylidene]propanoate
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)\C(=C(\C)C(=O)OC)[C@@]3([H])C1=C2C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C/COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O |c:22,43,55|
SMILES: [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)\C(=C(\C)C(=O)OC)[C@@]3([H])C1=C2C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C/COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O |c:22,43,55|
InChI key: NCEFZVURTXZBJM-QSDRZCANSA-N
共显示1个结果
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