14225-07-1 (銀葉樹苦素,1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)-(9CI))

快速询单

结构式：

銀葉樹苦素MOL文件

CAS号：

14225-07-1

中文名称：

銀葉樹苦素

英文名称：

1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)-(9CI)

分子式：

C₁₅H₁₆O₈

分子量：

324.282745361328

植物源：

木百合

銀葉樹苦素(14225-07-1)名称与标识符

名称

中文别名：

銀葉樹苦素;

英文别名：

1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)-(9CI);1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-...;8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione;(4R,5S,8R)-8r-((S)-1,2-Dihydroxy-aethyl)-9t-hydroxy-4-(4-hydroxy-phenyl)-1,7-dioxa-spiro[4.4]nonan-2,6-dion;(4R,5S,8R)-8r-((S)-1,2-dihydroxy-ethyl)-9t-hydroxy-4-(4-hydroxy-phenyl)-1,7-dioxa-spiro[4.4]nonane-2,6-dione;1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-(1,2-dihydroxyethyl)-9-hydroxy-4-(p-hydroxyphenyl)-;AC1L6OL2;AG-J-63638;AR-1B8386;CTK4C3007;KST-1B0472;Leucodrin;NSC112845;(4R,5S,8R,9R)-8-[(S)-1,2-Dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione;Leucodrin [MI];Q27256520;(4R,5S,8R,9R)-8-((S)-1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione;14225-07-1;UNII-364K3E180N;364K3E180N;1,7-Dioxaspiro(4.4)nonane-2,6-dione, 8-((1S)-1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)-;(4R,5S,8R,9R)-8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione;NSC-112845;AKOS040752504;1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)- (9CI);JVCLQSJXGOABTC-UHFFFAOYSA-N;1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)- 1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-,(4S,5S,8R,9R)-;Conocarpin;1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-, [5S-[5.alpha.(R*),8.alpha.(R*),9.beta.]]-;NCI60_000285;8-(1,2-Dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione-, (4S,5S,8R,9R)-;1,6-dione, 8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-, [5S-[5.alpha.(S*),8.alpha.(R*),9.beta.]]-;DTXSID90296955;1,6-dione, 8-(1,2-dihydroxyethyl)-9-hydroxy-4-(p-hydroxyphenyl)-;CHEMBL1964970;

标识符

InChIKey：

JVCLQSJXGOABTC-SHGFOSJLSA-N

Inchi：

1S/C15H16O8/c16-6-10(18)12-13(20)15(14(21)22-12)9(5-11(19)23-15)7-1-3-8(17)4-2-7/h1-4,9-10,12-13,16-18,20H,5-6H2/t9-,10+,12-,13-,15+/m1/s1

SMILES：

O1C(C[C@H](C2C=CC(=CC=2)O)[C@@]21C(=O)O[C@H]([C@H](CO)O)[C@H]2O)=O

銀葉樹苦素(14225-07-1)物化性质

实验特性

LogP : -1.19900
PSA : 133.52
折射率 : 1.669
沸点 : 747.73°C at 760 mmHg
熔点 : 212-212.5°
闪点 : 282.678°C
比旋光度 : D17 -19.2° (c = 3.5 in 40% alc)
密度 : 1.632

计算特性

精确分子量 : 324.08448
氢键供体数量 : 4
氢键受体数量 : 8
可旋转化学键数量 : 3
同位素质量 : 324.085
重原子数量 : 23
复杂度 : 486
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 5
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） : -0.5
拓扑分子极性表面积 : 134A^2

銀葉樹苦素(14225-07-1)相关文献

1. 57. Constituents of the leaves of certain Leucadendron species. Part I. Leucodrin
William Sage Rapson J. Chem. Soc. 1938 282
2. Comparison of the NMR coupling paths in leucodrin and conocarpin by low-temperature X-ray structure analysis
D. G. Billing,J. C. A. Boeyens,L. Carlton,D. C. Levendis,G. W. Perold J. Chem. Soc. Perkin Trans. 2 1991 695
3. 238. Constituents of the leaves of certain Leucadendron species. Part III. Oxidations of leucodrin derivatives with periodic acid and lead tetra-acetate
William Sage Rapson J. Chem. Soc. 1940 1271
4. 234. Constituents of the leaves of certain leucadendron species. Part II. Degradation experiments with leucodrin
William Sage Rapson J. Chem. Soc. 1939 1085
5. Conocarpin, a leucodrin-type metabolite of Leucospermum conocarpodendron(L.) buek
P. E. J. Kruger,G. W. Perold J. Chem. Soc. C 1970 2127
6. The reactivity and the role of β-aryl-α-oxoglutaric acids in the oxidation of leucodrin and its derivatives by periodate
G. W. Perold,A. S. Howard,H. K. L. Hundt J. Chem. Soc. C 1971 3136
7. The structure and chemistry of leucodrin
G. W. Perold,K. G. R. Pachler J. Chem. Soc. C 1966 1918
8. Metabolites of proteaceae. Part VI. The stereochemistry of reflexin and conocarpin
G. W. Perold,A. J. Hodgkinson,A. S. Howard,P. E. J. Kruger J. Chem. Soc. Perkin Trans. 1 1972 2457
9. Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone
Zhaofeng Wang,Kun Zhao,Junkai Fu,Junlin Zhang,Weiyu Yin,Yefeng Tang Org. Biomol. Chem. 2013 11 2093
10. The structure of leudrin, and the nucleophilic substitution of its primary hydroxy group by bromine
Guido W. Perold,Laurence Carlton,Arthur S. Howard,Joseph P. Michael J. Chem. Soc. Perkin Trans. 1 1988 881