Cas no 128778-66-5 (4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI))
![4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI) structure](https://ossimg.kuujia.com/scimg/129000/128778-66-5x500.png)
128778-66-5 structure
Product Name:4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI)
CAS No:128778-66-5
MF:C25H28O9
MW:472.484428405762
CID:226981
Update Time:2024-03-01
4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI)
- LupinisoflavoneN
- 4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,
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- Inchi： 1S/C25H28O9/c1-24(2,31)18(27)7-12-15(26)9-17-20(22(12)29)23(30)14(10-33-17)11-5-6-16-13(21(11)28)8-19(34-16)25(3,4)32/h5-6,9-10,18-19,26-29,31-32H,7-8H2,1-4H3/t18-,19+/m1/s1
- InChI Key： VWJDUNSQXRTRSD-MOPGFXCFSA-N
- SMILES： C1(C=C2OC=C(C3C(O)=C4C[C@@H](C(O)(C)C)OC4=CC=3)C(C2=C(O)C=1C[C@@H](O)C(O)(C)C)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 34
- XLogP3: 0.796
4H-1-Benzopyran-4-one,3-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-(9CI) Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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