| MDL | MFCD00210277 |
| InChIKey | NETSQGRTUNRXEO-XUXIUFHCSA-N |
| Inchi | 1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 |
| SMILES | O1C(C(=C([H])[H])[C@]2([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]3([H])[C@@]12[H])=O |
| LogP | 3.01660 |
| PSA | 26.30000 |
| 折射率 | 1.536 |
| 沸点 | 383.7℃ at 760 mmHg |
| 熔点 | 57.0 to 61.0 deg-C |
| 闪点 | 161.2 °C |
| 颜色与性状 | Cryst. |
| 溶解性 | 未确定 |
| 最大波长(λmax) | 206(MeOH)(lit.) |
| 光学活性 | [α]/D -14.0±3.0°, c = 1 in chloroform |
| 密度 | 1.09 |
| 精确分子量 | 230.13100 |
| 氢键供体数量 | 0 |
| 氢键受体数量 | 2 |
| 可旋转化学键数量 | 0 |
| 同位素质量 | 230.131 |
| 重原子数量 | 17 |
| 复杂度 | 432 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 4 |
| 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） | 2.6 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 26.3 |
| 分子量 | 230.30 |
| 海关编码 | 29089000 |
| 海关数据 |
中国海关编码：29089000 |
1.
Antimycobacterial natural products
Brent R. Copp Nat. Prod. Rep. 2003 20 535
2.
Complexation of sesquiterpene lactones with cyclodextrins: synthesis and effects on their activities on parasitic weeds
Antonio Cala,José M. G. Molinillo,Mónica Fernández-Aparicio,Jesús Ayuso,José A. álvarez,Diego Rubiales,Francisco A. Macías Org. Biomol. Chem. 2017 15 6500
3.
Natural sesquiterpenoids
Braulio M. Fraga Nat. Prod. Rep. 2000 17 483
4.
Simultaneous determination of phenols in the four main original plants of the famous traditional Chinese medicine Shihu by pressurized capillary electrochromatography
Xiao-Quan Liu,Chao-Feng Qin,Nai-Dong Chen,Jing-Wen Hao,Shi-Tang Ma,Min Zhang,Yu Song,Yun-Jiang Min,Ya-Qin Bu,Sheng Li RSC Adv. 2023 13 19455
5.
Simultaneous determination of 14 major components in Longhu Rendan pills by ultra-high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry
Tian-Ming Wang,Li-Qin Ding,Jia-Hua Jin,Rong Shi,Jie Zhong,Cui Gao,Qian Wang,Li Zhu,Yue-Ming Ma Anal. Methods 2014 6 2923
6.
Amino-derivatives of the sesquiterpene lactone class of natural products as prodrugs
James R. Woods,Huaping Mo,Andrew A. Bieberich,Tanja Alavanja,David A. Colby Med. Chem. Commun. 2013 4 27
7.
Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions
Lei Zhang,Wei Quan,Ren-Ming Liu,You-Ping Tian,Bo-Wen Pan,Xiong-Li Liu New J. Chem. 2022 46 11975
8.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Robert J. Mayer,Patrick W. A. Allihn,Nathalie Hampel,Peter Mayer,Stephan A. Sieber,Armin R. Ofial Chem. Sci. 2021 12 4850
9.
Recent advances in the syntheses of guaianolides
Rodney A. Fernandes,Sanjita Moharana,Gulenur Nesha Khatun Org. Biomol. Chem. 2023 21 6652
10.
Formal oxygen atom insertion as a skeletal-editing step: rapid access natural-product-inspired bispiro[oxindole-oxazinane] hybrids
Qing-Hui Shi,Yu-Heng Wang,Zi-Yue Chen,Xi-Rui Wang,Wen-Hui Zhang,Fang-Li Tian,Li-Jun Peng,Ying Zhou,Xiong-Li Liu Org. Chem. Front. 2023 10 3307
| PubChemId | 354335524 |
| Reaxys RN | 4733740 |
去氢木香内酯物理化学性质
外观：无色结晶粉末
密度：1.09
沸点：383.7ºC at 760 mmHg
闪点：161.2ºC
折射率：1.536
蒸汽压：4.31E-06mmHg at 25°C
储运特性
-4~8 ℃避光，干燥
