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Substance Name: Astaxanthin
RN: 472-61-7
UNII: 8XPW32PR7I
InChIKey: MQZIGYBFDRPAKN-UWFIBFSHSA-N

Note

  • A keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities.

Molecular Formula

  • C40-H52-O4

Molecular Weight

  • 596.8468
 
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Names and Synonyms

Name of Substance

  • Astaxanthin
  • Astaxanthine

Synonyms

  • 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione, (3S,3'S)-
  • Astaxanthin, (3S,3'S)-
  • Astaxanthin, all-trans-, (3S,3'S)-
  • beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-
  • CCRIS 7118
  • EINECS 207-451-4
  • HSDB 7468
  • NSC 635689
  • Ovoester
  • UNII-8XPW32PR7I

Systematic Names

  • (3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
  • 3,3'-Dihydroxy-beta-carotene-4,4'-dione
  • Astaxanthin

Superlist Name

  • Astaxanthin

Registry Numbers

CAS Registry Number

  • 472-61-7

FDA UNII

  • 8XPW32PR7I

System Generated Number

  • 0000472617

Structure Descriptors

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

MQZIGYBFDRPAKN-UWFIBFSHSA-N

Smiles

C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)[C@@H](O)CC2(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 182.5 deg C   EXP
log P (octanol-water) 13.27 (none)   EST
Atmospheric OH Rate Constant 7.18E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.