Dihydrocephalomannine
HIT214314758
sdf文件结构编辑类似物检索
HIT ID: HIT214314758
Cas No: 159001-25-9
分子式: C45H55NO14
分子量: 833.928
常用名: Dihydrocephalomannine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[2-hydroxy-3-(2-methylbutanamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC: 4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[2-hydroxy-3-(2-methylbutanamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
SMILES: CCC(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47|
SMILES: CCC(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47|
InChI key: OKEKLOJNCOIPIT-UHFFFAOYSA-N
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