灵芝醇 F | 114567-47-4
灵芝醇 F
Lanosta-7,9(11),24-trien-3-one,26,27-dihydroxy-
114567-47-4
C30H46O3
454.68444
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:灵芝醇 F结构式
名称和标识符
InChIKey |
JVGJXXNUVVQEIG-MCKXIFHVSA-N |
Inchi |
InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1 |
SMILES |
C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |
别名信息
- 英文别名 -
- Lanosta-7,9(11),24-trien-3-one,26,27-dihydroxy-
- (5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- Ganoderiol F
- [
"26",
"27-Dihydroxylanosta-7",
"9(11)",
"24-trien-3-one"
]
- Gaderiol F
- CHEBI:172034
- AKOS032948622
- SCHEMBL902833
- CHEMBL1915761
- F92877
- 26,27-Dihydroxylanosta-7,9(11),24-trien-3-one
- DTXSID00921423
- BDBM50356920
- A902268
- (10S,13R,14R,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,5,6,10,12,13,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(4H)-one
- 114567-47-4
- Lanosta-7,9(11),24-trien-3-one, 26,27-dihydroxy-
- (5R,10S,13R,14R,17R)-17-[(1R)-6-hydroxy-5-(hydroxymethyl)-1-methyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- 26
- B0005-161164
- 17-[7-Hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
物化性质
实验特性
沸点 |
598.3±50.0 °C at 760 mmHg |
蒸气压 |
0.0±3.8 mmHg at 25°C |
闪点 |
329.7±26.6 °C |
颜色与性状 |
Powder |
密度 |
1.1±0.1 g/cm3 |
计算特性
精确分子量 |
454.34469533g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
6 |
同位素质量 |
454.34469533g/mol |
重原子数量 |
33 |
复杂度 |
886 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
6 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
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) |
5.8 |
拓扑分子极性表面积 |
57.5Ų |
相关文献
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1.
Traditional uses, chemical components and pharmacological activities of the genus Ganoderma P. Karst.: a review
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