19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a,23E)- (9CI) | 117869-71-3
19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a,23E)- (9CI)
117869-71-3
C38H58O13
722.85932
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a,23E)- (9CI)结构式
名称和标识符
InChIKey |
JXLGHGQDRCPDGI-NHPZXTHYSA-N |
Inchi |
InChI=1S/C38H58O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-32,39,41,44-48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30?,31-,32-,35+,36-,37+,38+/m1/s1 |
SMILES |
CC(OC(/C=C/C([C@](C1[C@H](O)C[C@]2([C@@H]3CC=C4C([C@@H]([C@H](C[C@H]4[C@]3(C)C(C[C@]12C)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O)(C)C)C)(C)O)=O)(C)C)=O |
别名信息
- 中文别名 -
- 2-O-吡喃葡萄糖基葫芦素F-25-乙酸酯
- 2-O-吡喃葡萄糖基葫芦素F-25-乙酸
- 英文别名 -
- 19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a,23E)- (9CI)
- [(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclope
- 19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydro...
- 19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a
- 2-O-glucopyranosylcucurbitacin F-25-acetate
- (1S,2S,4R,9beta,16alpha,23E)-2-(beta-D-glucopyranosyloxy)-1,16,20-trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate
- 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2beta,3alpha,9beta,10alpha,16alpha,23E)-
- Gpc acetate
- 2-O-Glucopyranosylcucurbitacin F-25-acetate
- 117869-71-3
- [(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
物化性质
实验特性
PSA |
220.51 |
折射率 |
1.597 |
沸点 |
857.3°Cat760mmHg |
闪点 |
257.7°C |
密度 |
1.34 |
计算特性
精确分子量 |
722.38784 |
氢键供体数量 |
7 |
氢键受体数量 |
13 |
可旋转化学键数量 |
9 |
同位素质量 |
722.387742 |
重原子数量 |
51 |
复杂度 |
1470 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
15 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
1 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.9 |
拓扑分子极性表面积 |
221 |
19-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2-(b-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2b,3a,9b,10a,16a,23E)- (9CI)推荐生产厂家