Cas no 115655-77-1 (Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI))
![Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI) structure](https://ossimg.kuujia.com/scimg/116000/115655-77-1x500.png)
115655-77-1 structure
Product Name:Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI)
CAS No:115655-77-1
MF:C48H82O20
MW:979.152698040009
CID:158881
PubChem ID:3082731
Update Time:2025-04-19
Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Merremoside B
- 4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI)
- 4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)
- 4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®
- 4)-O-6-deoxy-a-L-mannopyranosyl-(1®
- Hexadecanoic acid, 11- ((O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl))
- Hexadecanoic acid, 11-((O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-
- Merremoside-B
- [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] 2-methylpropanoate
- 115655-77-1
- Hexadecanoic acid, 11-((O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl)oxy)-, intramol. 1,3''-ester, (S)-
- Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI)
-
- Inchi： 1S/C48H82O20/c1-10-11-17-20-29-21-18-15-13-12-14-16-19-22-30(49)63-41-36(55)47(66-38-26(7)58-45(62-29)33(52)32(38)51)60-28(9)40(41)68-48-42(65-44(57)24(4)5)35(54)39(27(8)61-48)67-46-34(53)31(50)37(25(6)59-46)64-43(56)23(2)3/h23-29,31-42,45-48,50-55H,10-22H2,1-9H3
- InChI Key： VTTAWLYKUVJDMQ-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(C)O1)OC1C(C(C(C(C)O1)OC(C(C)C)=O)O)O)O)OC(C(C)C)=O)C1C(C)OC2C(C1OC(CCCCCCCCCC(CCCCC)OC1C(C(C(C(C)O1)O2)O)O)=O)O
Computed Properties
- Exact Mass: 978.54006
- Monoisotopic Mass: 978.53994500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 20
- Heavy Atom Count: 68
- Rotatable Bond Count: 14
- Complexity: 1550
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 21
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 274?2
Experimental Properties
- PSA: 274.12
Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI) Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
115655-77-1 (Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-2-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI)) Related Products
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