Cas no 379693-30-8 (Prunasin 6'-O-gallate)
Prunasin 6'-O-gallate structure
Product Name:Prunasin 6'-O-gallate
CAS No:379693-30-8
MF:C21H21NO10
MW:447.39214682579
CID:6694774
Update Time:2024-03-02
Prunasin 6'-O-gallate Chemical and Physical Properties
Names and Identifiers
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- (-)-6'-O-Galloylprunasin
- prunasin 6'-O-gallate
- Prunasin 6'-O-gallate
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- Inchi： 1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2
- InChI Key： BYILEHCAHZEAIX-UHFFFAOYSA-N
- SMILES： OC1C(O)C(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: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 32
- XLogP3: -0.0699999999999997
Prunasin 6'-O-gallate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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