PPAHV
HIT214316584
sdf文件结构编辑类似物检索
HIT ID: HIT214316584
Cas No: 175796-50-6
分子式: C39H44O11
分子量: 688.77
常用名: PPAHV
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-[(2-phenylacetyl)oxy]tetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-[(2-phenylacetyl)oxy]tetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILES: [H][C@]12[C@]3([H])C=C(COC(=O)Cc4ccc(O)c(OC)c4)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)Cc3ccccc3)[C@@]1(OC(C)=O)C2(C)C |c:27,t:4|
SMILES: [H][C@]12[C@]3([H])C=C(COC(=O)Cc4ccc(O)c(OC)c4)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)Cc3ccccc3)[C@@]1(OC(C)=O)C2(C)C |c:27,t:4|
InChI key: OGRGWTXWAZBJKF-JXWJAAHMSA-N
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