3′-Epilutein

CAS Registry Number®

52842-48-5
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CAS Name

3′-Epilutein

Molecular Formula

C40H56O2

Molecular Mass

568.87

Cite this Page

3′-Epilutein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52842-48-5 (retrieved 2024-09-07) (CAS RN: 52842-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1

InChIKey

InChIKey=KBPHJBAIARWVSC-IRHPOQNPSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\[C@@H]2C(C)(C)C[C@H](O)C=C2C

Canonical SMILES

OC1C=C(C)C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1

Other Names for this Substance

  • β,ε-Carotene-3,3′-diol, (3R,3′S,6′R)-
  • (3R,3′S,6′R)-β,ε-Carotene-3,3′-diol
  • Calthaxanthin
  • 3′-Epilutein
  • Lutein B

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Deleted or Replaced CAS Registry Numbers

107397-47-7, 1312035-22-5