20-O-Acetylingenol-3-angelate
HIT214314407
sdf文件结构编辑类似物检索
HIT ID: HIT214314407
Cas No: 82425-35-2
分子式: C27H36O7
分子量: 472.578
常用名: 20-O-Acetylingenol-3-angelate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4S,5S,6R,9R,10R,12R,14R)-7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl (2Z)-2-methylbut-2-enoate
IUPAC: (1S,4S,5S,6R,9R,10R,12R,14R)-7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl (2Z)-2-methylbut-2-enoate
SMILES: [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(COC(C)=O)=C[C@@H](C4=O)[C@]1([H])C2(C)C |c:27,t:6|
SMILES: [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(COC(C)=O)=C[C@@H](C4=O)[C@]1([H])C2(C)C |c:27,t:6|
InChI key: ZYCAGKYWXRKLSN-ATDIWHHSSA-N
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