730960-98-2 (NSC 15520,17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,14S)-)

快速询单

结构式：

NSC 15520MOL文件

CAS号：

730960-98-2

中文名称：

NSC 15520

英文名称：

17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,14S)-

分子式：

C₂₄H₃₄O₆

分子量：

418.523168087006

NSC 15520(730960-98-2)名称与标识符

名称

英文别名：

NSC15520;Oprea1_838013;NSC68422;NCI60_001103;17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,1;

标识符

InChIKey：

PXYRCOIAFZBLBN-UHFFFAOYSA-N

Inchi：

1S/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)

SMILES：

OC(C1C(C(=O)O)C2C(C(C)C)=CC31CCC1C(C(=O)O)(C)CCCC1(C)C3C2)=O

NSC 15520(730960-98-2)物化性质

计算特性

氢键供体数量 : 3
氢键受体数量 : 6
可旋转化学键数量 : 4
重原子数量 : 30
复杂度 : 830
疏水参数计算参考值（XlogP） : 4.2
拓扑分子极性表面积 : 112

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730960-98-2 (NSC 15520,17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,14S)-)

NSC 15520(730960-98-2)名称与标识符

名称

标识符

NSC 15520(730960-98-2)物化性质

计算特性

NSC 15520(730960-98-2)相关文献

目录