Cas no 31894-69-6 (Myxol)

Myxol structure
Myxol structure
Product Name:Myxol
CAS No:31894-69-6
MF:C40H56O3
MW:584.870852470398
CID:317919
PubChem ID:16061290
Update Time:2024-03-01

Myxol Chemical and Physical Properties

Names and Identifiers

    • b,y-Carotene-1',2',3(2'H)-triol, 3',4'-didehydro-,(2'S,3R,3E)-
    • (3R,2'S)-3',4'-Didehydro-1',2'-dihydro-b,y-carotene-3,1',2'-triol
    • (3R,2'S)-Myxol
    • all-trans-Myxol
    • g-Carotene,1',2'-dihydro-1',2',3-trihydroxy- (8CI)
    • Myxol
    • LMPR01070183
    • C15919
    • Q27149288
    • (2'S,3R)-3',4'-Didehydro-1',6'-seco-beta,beta-carotene-1',2',3-triol
    • DTXSID801346550
    • (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
    • CHEBI:80177
    • 31894-69-6
    • Inchi: 1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1
    • InChI Key: JJPMVSRTRMLHST-XDLIQHAKSA-N
    • SMILES: O[C@@H]1CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O)O)/C)/C)C(C)(C)C1

Computed Properties

  • Exact Mass: 584.42294564g/mol
  • Monoisotopic Mass: 584.42294564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 13
  • Complexity: 1290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 11
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 10.7
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