Name: Hypocrellin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212652402
Cas No:77029-83-5
常用名:Hypocrellin A
别名:竹红菌甲素
IUPAC:(12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaene-7,19-dione
IUPAC:(12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaene-7,19-dione
InChI key:VANSZAOQCMTTPB-RNAHPLFWSA-N

分子式:C30H26O10
分子量:546.528
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:2.5457757
SMILES:COc1cc(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@H](C(C)=O)c4c(OC)c(O)c5c6c(c(OC)cc5=O)c1c2c3c46
SMILES:COc1cc(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@H](C(C)=O)c4c(OC)c(O)c5c6c(c(OC)cc5=O)c1c2c3c46

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