Cas no 101770-13-2 (4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-)
101770-13-2 structure
Product Name:4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-
CAS No:101770-13-2
MF:C22H22O7
MW:398.405887126923
CID:146388
Update Time:2024-03-01
4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-
- 4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-(9CI)
- Isorhynchospermin
- 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-
-
- Inchi： 1S/C22H22O7/c1-11(2)5-7-13-16(28-4)10-17-18(19(13)24)20(25)21(26)22(29-17)12-6-8-15(27-3)14(23)9-12/h5-6,8-10,23-24,26H,7H2,1-4H3
- InChI Key： VADQDPHFUHJWBE-UHFFFAOYSA-N
- SMILES： C1(C2=CC=C(OC)C(O)=C2)OC2=CC(OC)=C(C/C=C(/C)\C)C(O)=C2C(=O)C=1O
Computed Properties
- Exact Mass: 398.13656
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- XLogP3: 3.402
Experimental Properties
- Density: 1.351±0.06 g/cm3(Predicted)
- Boiling Point: 619.9±55.0 °C(Predicted)
- PSA: 105.45
- pka: 6.66±0.40(Predicted)
4H-1-Benzopyran-4-one,3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Flavonoids 6-prenylated flavones
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Flavonoids Flavones 6-prenylated flavones
- Natural Products and Extracts Plant Extracts Plant based Paracalyx scariosus
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