Cas no 404835-31-0 (Prunasin 2',3',6'-tri-O-gallate)
404835-31-0 structure
Product Name:Prunasin 2',3',6'-tri-O-gallate
CAS No:404835-31-0
MF:C35H29NO18
MW:751.60067152977
CID:6694775
Update Time:2024-03-02
Prunasin 2',3',6'-tri-O-gallate Chemical and Physical Properties
Names and Identifiers
-
- (+)-Prunasin 2',3',6'-tri-O-gallate
- Prunasin 2',3',6'-tri-O-gallate
-
- Inchi： 1S/C35H29NO18/c36-12-24(14-4-2-1-3-5-14)51-35-31(54-34(49)17-10-22(41)28(45)23(42)11-17)30(53-33(48)16-8-20(39)27(44)21(40)9-16)29(46)25(52-35)13-50-32(47)15-6-18(37)26(43)19(38)7-15/h1-11,24-25,29-31,35,37-46H,13H2
- InChI Key： FRJZZYJNOPWETO-UHFFFAOYSA-N
- SMILES： OC1C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C(OC(C2C=CC=CC=2)C#N)OC1COC(C1C=C(O)C(O)=C(O)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 54
- XLogP3: 3.7
Prunasin 2',3',6'-tri-O-gallate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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