Cas no 71869-01-7 (b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate))

b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate) structure
71869-01-7 structure
Product Name:b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate)
CAS No:71869-01-7
MF:C51H78O8
MW:819.16023683548
CID:568374
PubChem ID:56928085
Update Time:2025-04-19

b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate)
    • staphyloxanthin
    • 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose
    • CHEBI:71690
    • alpha-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-O-(12-methyltetradecanoate)
    • Alapha-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate) 6-O-(12-methyltetradecanoate)
    • beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)
    • 8'-Apo-psi,psi-carotenoic acid, 6-O-(12-methyl-1-oxotetradecyl)-alpha-D-glucopyranosyl ester
    • DTXSID20222141
    • 71869-01-7
    • Inchi： 1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1
    • InChI Key： PDOUICUKTQRPHO-MENSNCDRSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(CCCCCCCCCCC(C)CC)=O)O)O)O)OC(/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C)/C)/C)/C)=O

Computed Properties

  • Exact Mass: 818.56994
  • Monoisotopic Mass: 818.57
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 29
  • Complexity: 1540
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 9
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 123A^2
  • XLogP3: 15.2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 896.4°C at 760 mmHg
  • Flash Point: 246.6°C
  • Refractive Index: 1.547
  • PSA: 133.52

b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate) Related Literature

Related Categories

71869-01-7 (b-D-Glucopyranose,1-(2,6,11,15,19,23-hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoate),6-(12-methyltetradecanoate)) Related Products

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