MDL | MFCD01673484 |
InChIKey | XRARAKHBJHWUHW-KXCVMQPGSA-N |
Inchi | 1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17-,18+,19+,20-,21?,22+,23-,24+/m1/s1 |
SMILES | O([H])[C@]12C([H])([H])[C@@]([H])([C@]3([H])[C@@]([H])([C@@]1([H])[C@@]([H])(C3([H])[H])[C@@]13[C@]([H])(C([H])([H])C([H])([H])[C@@]4(C([H])([H])OC([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])[H])C1([H])[C@@]2([H])[C@@]([H])([C@@]34[H])OC([H])([H])[H])O[H])O[H])OC([H])([H])[H] |
LogP | 0.43990 |
PSA | 91.62000 |
沸点 | 578.3℃/760mmHg |
颜色与性状 | Powder |
精确分子量 | 437.27800 |
氢键供体数量 | 3 |
氢键受体数量 | 7 |
可旋转化学键数量 | 5 |
同位素质量 | 437.27773796 g/mol |
重原子数量 | 31 |
复杂度 | 752 |
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 | 13 |
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) | -0.1 |
互变异构体数量 | 无 |
表面电荷 | 0 |
拓扑分子极性表面积 | 91.6 |
分子量 | 437.6 |
1.
The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers
Ziyu Zeng,Ashraf M. A. Qasem,Gabriele Kociok-K?hn,Michael G. Rowan,Ian S. Blagbrough RSC Adv. 2020 10 18797
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Diterpenoid alkaloids
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3.
Diterpenoid alkaloids
M. S. Yunusov Nat. Prod. Rep. 1991 8 499
4.
Metabolomics study on Fuzi and its processed products using ultra-performance liquid-chromatography/electrospray-ionization synapt high-definition mass spectrometry coupled with pattern recognition analysis
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5.
Simultaneous determination of aconite alkaloids and ginsenosides using online solid phase extraction hyphenated with polarity switching ultra-high performance liquid chromatography coupled with tandem mass spectrometry
Yuelin Song,Na Zhang,Yong Jiang,Jun Li,Yunfang Zhao,Shepo Shi,Pengfei Tu RSC Adv. 2015 5 6419
6.
Structural diversity, bioactivities, and biosynthesis of natural diterpenoid alkaloids
Yong Shen,Wen-Juan Liang,Ya-Na Shi,Edward J. Kennelly,Da-Ke Zhao Nat. Prod. Rep. 2020 37 763
7.
Index pages
Nat. Prod. Rep. 1993 10 I1
8.
Diterpenoid alkaloids
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9.
Proof of the structure of the diterpene alkaloid chasmanine: the crystal and molecular structure of chasmanine 14α-benzoate hydrochloride
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10.
Correlation of drug-induced and drug-related ultra-high performance liquid chromatography-mass spectrometry serum metabolomic profiles yields discovery of effective constituents of Sini decoction against myocardial ischemia in rats
Guangguo Tan,Xin Wang,Kui Liu,Xin Dong,Wenting Liao,Hong Wu Food Funct. 2018 9 5528
物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性