Astaxanthin

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Systematic / IUPAC Name: (3S,3'S)-3,3'-Dihydroxy-β,β-carotene-4,4'-dione

ID: Reference5854

Other Names: (3S,3'S)-All-trans-astaxanthin;
(3S,3'S)-Astaxanthin;
trans-Astaxanthin;
All-trans-astaxanthin;
AXT ; more

Formula: C40H52O4

Class: Endogenous Metabolites

Spectral Data

Astaxanthin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 12:28:51 PM
View Mass Spec Data > >

Identificators

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
InChI Key MQZIGYBFDRPAKN-UWFIBFSHSA-N
Canonical SMILES CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
CAS 472617
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Other Names (3S,3'S)-All-trans-astaxanthin;
(3S,3'S)-Astaxanthin;
trans-Astaxanthin;
All-trans-astaxanthin;
AXT;
Coriolus versicolor extract;
Lucantin pink;
Natupink;
Ovoester;
β,β-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-;
(6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one;
(6S,6'S)-3,3'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one);
AstaREAL ;
AstaXin ;
BioAstin ;
Carophyll Pink ;
Lucantin Pink ;
NatuRose

In Other Databases

ChemSpider 4444636
HMDb HMDB02204
Wikipedia Astaxanthin
ChEMBL CHEMBL1255871
PubChem 5281224
KEGG C08580
ChEBI CHEBI:40968