Substance
  • Substance Name: (3R,3'S,5'R)-3,3'-dihydroxy-beta,kappa-caroten-6'-one
  • Formula: C40H56O3
  • Molecular Weight: 584.9 g/mol
  • Identifiers:
    • inchi: InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
    • inchikey: VYIRVAXUEZSDNC-RDJLEWNRSA-N
    • casrn: 465-42-9
    • csmiles: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C
    • ismiles: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/C)/C
    • pubchemId: 5281228
    • iupacname: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • wikidataId: Q425431
    • chemspiderId: 4444640
    • dsstoxcmpId: DTXCID401334125
    • chemblId: CHEMBL1519371
    • ecnumber: 207-364-1
(3R,3'S,5'R)-3,3'-dihydroxy-beta,kappa-caroten-6'-one
Systems and Datasets