Cas no 55785-60-9 ([(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate)
![[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate structure](https://ossimg.kuujia.com/scimg/56000/55785-60-9x500.png)
55785-60-9 structure
Product Name:[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
CAS No:55785-60-9
MF:C22H26O10
MW:450.435847759247
CID:1595576
Update Time:2024-02-29
[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate Chemical and Physical Properties
Names and Identifiers
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- [(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
- beta-D-glucopyranoside, (1S,4aR,5S,7aS)-7-[(benzoyloxy)methyl]-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-1-yl
- (1S)-7-[(Benzoyloxy)methyl]-1,4aα,5,7aα-tetrahydro-5α-hydroxycyclopenta[c]pyran-1-yl β-D-glucopyranoside
- Melampyroside
- β-D-Glucopyranoside, (1S,4aR,5S,7aS)-7-[(benzoyloxy)methyl]-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-1-yl
- (-)-Melampyroside
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- Inchi： 1S/C22H26O10/c23-9-15-17(25)18(26)19(27)22(31-15)32-21-16-12(8-14(24)13(16)6-7-29-21)10-30-20(28)11-4-2-1-3-5-11/h1-8,13-19,21-27H,9-10H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
- InChI Key： LPLWWIHUJXWQSS-QNAXTHAFSA-N
- SMILES： O([C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(COC(C3C=CC=CC=3)=O)[C@@]12[H]
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 32
- XLogP3: -0.588
[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Iridoid O-glycosides
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Iridoid O-glycosides
- Natural Products and Extracts Plant Extracts Plant based Parentucellia viscosa
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