Astaxanthin

CAS Registry Number®

472-61-7

CAS Name

Astaxanthin

Molecular Formula

C40H52O4

Molecular Mass

596.84

Cite this Page

Astaxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=472-61-7 (retrieved 2024-11-21) (CAS RN: 472-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    182.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

InChIKey

InChIKey=MQZIGYBFDRPAKN-UWFIBFSHSA-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)C(=O)C1C)\C)\C)/C)/C)\C=2C(C)(C)C[C@H](O)C(=O)C2C

Canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1O)C

Other Names for this Substance

  • β,β-Carotene-4,4′-dione, 3,3′-dihydroxy-, (3S,3′S)-
  • β-Carotene-4,4′-dione, 3,3′-dihydroxy-, all-trans-
  • Astaxanthin
  • (3S,3′S)-3,3′-Dihydroxy-β,β-carotene-4,4′-dione
  • Ovoester

View All

Deleted or Replaced CAS Registry Numbers

346585-67-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration