Cas no 29267-88-7 (Caloxanthin)

Caloxanthin structure
Caloxanthin structure
Product Name:Caloxanthin
CAS No:29267-88-7
MF:C40H56O3
MW:584.870852470398
CID:282385
Update Time:2024-02-29

Caloxanthin Chemical and Physical Properties

Names and Identifiers

    • b,b-Carotene-2,3,3'-triol, (2R,3R,3'R)-
    • (2R,3R,3'R)-b,b-Carotene-2,3,3'-triol
    • all-trans-Caloxanthin
    • Caloxanthin
    • LMPR01070134
    • C16282
    • Q27149462
    • 29267-88-7
    • (2R,3R,3'R)-beta,beta-Carotene-2,3,3'-triol
    • Inchi: 1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1
    • InChI Key: PKHJWTKRKQNNJE-RJLXQHJHSA-N
    • SMILES: O[C@H]1[C@@H](CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C[C@H](CC2(C)C)O)/C)/C)C1(C)C)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 10
  • Complexity: 1330
  • Topological Polar Surface Area: 60.7
  • XLogP3: 9.33000000000001
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