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Substance Name: Fucoxanthin
RN: 3351-86-8
UNII: 06O0TC0VSM
InChIKey: SJWWTRQNNRNTPU-XJUZQKKNSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H58-O6

Molecular Weight

  • 658.9142
 
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Names and Synonyms

Name of Substance

  • Fucoxanthin

Synonyms

  • 5-18-04-00673 (Beilstein Handbook Reference)
  • BRN 0073179
  • CCRIS 4055
  • Fucoxanthin
  • Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)
  • UNII-06O0TC0VSM

Systematic Names

  • beta,beta-Carotene, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-, (3S,3'S,5R,5'R,6S,6'R)-
  • Fucoxanthin

Registry Numbers

CAS Registry Number

  • 3351-86-8

FDA UNII

  • 06O0TC0VSM

System Generated Number

  • 0003351868

Structure Descriptors

InChI

1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1

InChIKey

SJWWTRQNNRNTPU-XJUZQKKNSA-N

Smiles

CC(=O)O[C@H]1CC(C)(C)C(=C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)\C)\C)[C@](C)(O)C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168 deg C   EXP
log P (octanol-water) 11.4 (none)   EST
Atmospheric OH Rate Constant 7.82E-10 cm3/molecule-sec 25 EST

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