Cas no 51547-91-2 (Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate)
![Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate structure](https://ossimg.kuujia.com/scimg/52000/51547-91-2x500.png)
51547-91-2 structure
Product Name:Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS No:51547-91-2
MF:C27H36O15
MW:600.56575012207
CID:935524
PubChem ID:436129
Update Time:2025-04-19
Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- 51547-91-2
- NSC382836
- ZINC05664308
- DTXSID30331172
- Methyl 5-(acetyloxy)-7-methyl-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- NSC-382836
-
- Inchi： 1S/C27H36O15/c1-11-8-18(37-13(3)29)21-17(25(33)34-7)9-36-26(20(11)21)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)19(41-27)10-35-12(2)28/h9,11,18-24,26-27H,8,10H2,1-7H3
- InChI Key： KXZBFHUAWDPWQF-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C2C(CC(C)C2C1OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 600.20538
- Monoisotopic Mass: 600.20542044g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 42
- Rotatable Bond Count: 15
- Complexity: 1100
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 186?2
Experimental Properties
- PSA: 185.49
Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
51547-91-2 (Methyl 5-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate) Related Products
- 14260-99-2(Daphylloside)
- 288248-46-4(Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-)
- 17388-39-5(Swertiamarin)
- 18524-94-2(Loganin)
- 22255-40-9(Loganic acid)
- 24512-63-8(Geniposide)
- 25406-64-8(Morroniside)
- 14215-86-2(Sweroside)
- 548-37-8(Verbenalin)
- 117479-87-5(Sesamoside)
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