Cas no 115655-78-2 (Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-3-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-3-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
115655-78-2 structure
Product Name:Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-3-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:115655-78-2
MF:C48H82O20
MW:979.152698040009
CID:206751
PubChem ID:195155
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-3-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 d
    • 4)-6-deoxy-a-L-mannopyranosyl]oxy]-,intramol. 1,3''-ester, (11S)- (9CI)
    • 4)-O-6-deoxy-3-O-(2-methyl-1-oxopropyl)
    • 4)-O-6-deoxy-3-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1&reg
    • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 4,5-dihydroxy-6-({5-hydroxy-2-methyl-4-[(2-methylpropanoyl)oxy]-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.1~3,7~]hexacos-6-yl)oxy]tet
    • Hexadecanoic acid, 11-((O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-3-O-(2-methyl-1-oxopropyl)-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl))
    • Merremoside-D
    • [4,5-dihydroxy-6-[5-hydroxy-2-methyl-4-(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
    • 115655-78-2
    • Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-3-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)63-41-35(54)47(66-38-26(7)58-45(62-29)33(52)32(38)51)60-27(8)39(41)68-48-36(55)42(65-44(57)24(4)5)40(28(9)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： VTFUTZVTYIBPGV-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(C)O1)OC1C(C(C(C(C)O1)OC(C(C)C)=O)O)O)OC(C(C)C)=O)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: 978.54
  • 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

  • Density: 1.27
  • Boiling Point: 1004.7°Cat760mmHg
  • Flash Point: 279.4°C
  • Refractive Index: 1.545
  • PSA: 274.12
  • LogP: 2.82400

Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-3-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

Related Categories

115655-78-2 (Hexadecanoic acid,11-[[O-6-deoxy-4-O-(2-methyl-1-oxopropyl)-a-L-mannopyranosyl-(1®4)-O-6-deoxy-3-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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