Cas no 79887-94-8 (Tetrastachynine)
Tetrastachynine structure
Product Name:Tetrastachynine
CAS No:79887-94-8
MF:C42H50N4O6
MW:706.869611263275
CID:2040102
Update Time:2025-04-21
Tetrastachynine Chemical and Physical Properties
Names and Identifiers
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- Tetrastachynine
-
- Inchi： 1S/C42H50N4O6/c1-5-23-18-22-19-42(39(50)52-4)34-25(12-16-46(21-22)36(23)42)24-9-11-29(47)30(31(24)43-34)26-8-10-28-32(33(26)48)44-35-27(37(49)51-3)20-40(6-2)13-7-15-45-17-14-41(28,35)38(40)45/h8-11,22-23,36,38,43-44,47-48H,5-7,12-21H2,1-4H3/t22-,23+,36+,38+,40+,41+,42-/m0/s1
- InChI Key： WBVTYPROYSVUHH-ZTXLSINPSA-N
- SMILES： [C@H]12C[C@@H](CC)[C@@H]3[C@](C(OC)=O)(C1)C1=C(CCN3C2)C2C(=C(C3=CC=C4C(NC5[C@]64CCN4[C@@H]6[C@@](CCC4)(CC)CC=5C(OC)=O)=C3O)C(O)=CC=2)N1
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 52
- XLogP3: 5.999
Tetrastachynine Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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