Cas no 11004-68-5 (b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)-)

b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)- structure
11004-68-5 structure
Product Name:b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)-
CAS No:11004-68-5
MF:C46H66O7
MW:731.012054920197
CID:147536
PubChem ID:102601544
Update Time:2025-04-19

b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)- Chemical and Physical Properties

Names and Identifiers

    • b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)-
    • b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydrox...
    • MYXOXANTHOPHYLL
    • MYXOXANTHOPHYLL(SH)
    • MYXOXANTHOPHYLL(SH) (In Solution)
    • MYXOXANTHOPHYLL(SH) (In Solution) PrintBack
    • 3',4'-Didehydro-2'-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1',2'-dihydro-1',3-dihydroxy-beta,psi-Carotene
    • beta,psi-Carotene, 3',4'-didehydro-2'-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1',2'-dihydro-1',3-dihydroxy-
    • 3',4'-Didehydro-2'-[(6-deoxy-α-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-β,ψ-carotene
    • DTXSID901032746
    • (2S,3R,4R,5R,6S)-2-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-Hydroxy-25-[(4S)-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-undecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
    • 11004-68-5
    • b,y-Carotene,3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3s,3'e)-
    • Inchi： 1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38-,40?,41-,42+,43+,44-/m0/s1
    • InChI Key： MUCOHWBULSBLLZ-DWJFONTISA-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(C(C)(C)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)/C)/C)C(C)(C)C1

Computed Properties

  • Exact Mass: 730.48100
  • Monoisotopic Mass: 730.48085444g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 15
  • Complexity: 1580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 11
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 120?2

Experimental Properties

  • PSA: 119.61000
  • LogP: 8.53610

b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)- Related Literature

Related Categories

11004-68-5 (b,y-Carotene, 3',4'-didehydro-2'-[(6-deoxy-a-L-mannopyranosyl)oxy]-1',2'-dihydro-1',3-dihydroxy-,(3S,3'E)-) Related Products

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