(Q105217428)

English

(3S,3'S,5S,5'R,6R)-5,6-Epoxycapsanthin

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(10E,12E,14E,16E,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

1 reference

based on heuristic

inferred from SMILES

1-(4-Hydroxy-1,2,2-trimethylcyclopentyl)-19-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

600.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

capsanthin 5,6-epoxide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₄

0 references

canonical SMILES

O=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC12OC2(C)CC(O)CC1(C)C)C)C)C)C)C3(C)CC(O)CC3(C)C

0 references

isomeric SMILES

CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C

0 references

found in taxon

Capsicum annuum

1 reference

stated in

Isolation of Carotenoids with 3,5,6-Trihydroxy-5,6-dihydro-β-end Groups from Red Paprika (Capsicum annuum)

Identifiers

InChI

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)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/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39-,40+/m0/s1

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InChIKey

QAILMWKAKHIIHL-SZDXZRDASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAILMWKAKHIIHL-SZDXZRDASA-N

1 reference

(Q105217428)

(3S,3'S,5S,5'R,6R)-5,6-Epoxycapsanthin

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