Name: PPAHV
Rating: 5 (10 reviews)

待询

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316584
Cas No:175796-50-6
常用名:PPAHV
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
InChI key:OGRGWTXWAZBJKF-JXWJAAHMSA-N

分子式:C39H44O11
分子量:688.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

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