(Q104935875)

English

(1S,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[(9E,11E,13E,15E,17E)-18-(3,4-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

600.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

beta-carotene-3,4,3'4'-tetrol

1 reference

based on heuristic

inferred from InChIKey

(3S,4R,3'R,4'R)-beta,beta-Carotene-3,4,3',4'-tetrol

1 reference

based on heuristic

inferred from InChI

(1S,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4R)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₄

0 references

canonical SMILES

OC1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)C(O)C(O)CC2(C)C)C)C)C)C)C(C)(C)CC1O)C

0 references

isomeric SMILES

CC1=C(/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)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O

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found in taxon

Paraeuchaeta russelli

1 reference

stated in

Carotenoids of temora turbinata, centropages furcatus, undinula vulgaris and euchaeta russelli

Artemia salina

1 reference

stated in

On the Metabolism of Carotenoids in the Crustacean Artemia salina

Atlantic salmon

1 reference

stated in

Natural Occurrence of Enantiomeric andmeso-Astaxanthin. 5. Ex wild salmon (Salmo salar andOncorhynchus)

Identifiers

InChI

InChI=1S/C40H56O4/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/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-,38+/m0/s1

0 references

InChIKey

BHCRLQHBUDRLQM-YEIWHIPQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHCRLQHBUDRLQM-YEIWHIPQSA-N

(Q104935875)

(1S,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol

Statements

Identifiers

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