Cas no 114226-31-2 (1alpha-benzoyloxy-6beta,8beta,9alpha-triacetoxy-4beta-hydroxydihydro-beta-agarofuran)
114226-31-2 structure
Product Name:1alpha-benzoyloxy-6beta,8beta,9alpha-triacetoxy-4beta-hydroxydihydro-beta-agarofuran
CAS No:114226-31-2
MF:C28H36O10
MW:532.579449653625
CID:2017164
Update Time:2025-04-21
1alpha-benzoyloxy-6beta,8beta,9alpha-triacetoxy-4beta-hydroxydihydro-beta-agarofuran Chemical and Physical Properties
Names and Identifiers
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- 1alpha-benzoyloxy-6beta,8beta,9alpha-triacetoxy-4beta-hydroxydihydro-beta-agarofuran
- 6,8,9-Tri-Ac,1-benzoyl-(1alpha,6beta,8beta,9alpha)-1,4,6,8,9-Pentahydroxydihydro-beta-agarofuran
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- Inchi： 1S/C28H36O10/c1-15(29)34-21-20-22(35-16(2)30)28(38-25(20,4)5)26(6,33)14-13-19(27(28,7)23(21)36-17(3)31)37-24(32)18-11-9-8-10-12-18/h8-12,19-23,33H,13-14H2,1-7H3/t19-,20+,21-,22-,23+,26-,27-,28-/m1/s1
- InChI Key： WGDSITUJTHQBSE-UTFMTOTBSA-N
- SMILES： [C@H]12[C@@H](OC(C)=O)[C@@]3(OC1(C)C)[C@@](O)(C)CC[C@H]([C@]3(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 38
- XLogP3: 2.952
1alpha-benzoyloxy-6beta,8beta,9alpha-triacetoxy-4beta-hydroxydihydro-beta-agarofuran Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Agarofurans
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Agarofurans
- Natural Products and Extracts Plant Extracts Plant based Orthosphenia mexicana
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