Cas no 404835-29-6 (Prunasin 3',6'-di-O-gallate)
Prunasin 3',6'-di-O-gallate structure
Product Name:Prunasin 3',6'-di-O-gallate
CAS No:404835-29-6
MF:C28H25NO14
MW:599.49640917778
CID:6694764
Update Time:2024-03-02
Prunasin 3',6'-di-O-gallate Chemical and Physical Properties
Names and Identifiers
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- (-)-Prunasin 3',6'-di-O-gallate
- Prunasin 3',6'-di-O-gallate
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- Inchi： 1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2
- InChI Key： YBXFOTINCCIAPR-UHFFFAOYSA-N
- SMILES： OC1C(OC(C2C=C(O)C(O)=C(O)C=2)=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: 8
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 43
- XLogP3: 0.856000000000001
Prunasin 3',6'-di-O-gallate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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