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Substance Name: Astaxanthin, (9Z)-
RN: 113085-04-4
UNII: TDS4HHC19M
InChIKey: MQZIGYBFDRPAKN-QHKQXWLXSA-N

Molecular Formula

  • C40-H52-O4

Molecular Weight

  • 596.8468
 
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Names and Synonyms

Name of Substance

  • Astaxanthin, (9Z)-

Synonyms

  • 9-Cis astaxanthin (constituent of astaxanthin esters) [DSC]
  • 9-cis-Astaxanthin
  • Astaxanthin, (9Z)-
  • beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S,9-cis)-
  • UNII-TDS4HHC19M

Registry Numbers

CAS Registry Number

  • 113085-04-4

FDA UNII

  • TDS4HHC19M

System Generated Number

  • 0113085044

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-QHKQXWLXSA-N

Smiles

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