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Substance Name: Neoxanthin
RN: 14660-91-4
UNII: KK8M5T48AI
InChIKey: PGYAYSRVSAJXTE-OQASCVKESA-N

Note

  • One of the main carotenoids in chloroplasts of higher plants and algae.

Molecular Formula

  • C40-H56-O4

Molecular Weight

  • 600.8784
 
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Names and Synonyms

Name of Substance

  • Neoxanthin

Synonyms

  • 9-cis-Neoxanthin
  • CCRIS 7560
  • cis-Neoxanthin
  • Neoxanthine
  • UNII-KK8M5T48AI

Systematic Names

  • beta,beta-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S,9'-cis)-
  • Neoxanthin

Registry Numbers

CAS Registry Number

  • 14660-91-4

FDA UNII

  • KK8M5T48AI

Other Registry Numbers

  • 157966-40-0
  • 2034-64-2
  • 23727-42-6

System Generated Number

  • 0014660914

Structure Descriptors

InChI

1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1

InChIKey

PGYAYSRVSAJXTE-OQASCVKESA-N

Smiles

C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(/C)\C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C