(Q105153999)

English

(1S,2R,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

chemical compound

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instance of

type of chemical entity

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subclass of

1-[(1E,3E,5E,7E,9E)-18-(4-hydroxy-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]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

1 reference

1 reference

1 reference

584.422945652 dalton

1 reference

1 reference

C₄₀H₅₆O₃

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC(CC2(O)C)CC3(C)C)C)C)C)C)C(C)(C)C1)C

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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/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1

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found in taxon

Capsicum annuum

1 reference

stated in

Reisolation of Carotenoid 3,6-Epoxides from Red Paprika (Capsicum annuum)

Capsicum annuum var. annuum

1 reference

stated in

Reisolation of Carotenoid 3,6-Epoxides from Red Paprika (Capsicum annuum)

Identifiers

InChI

InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,39-,40+/m1/s1

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InChIKey

LMIFPRVTIOZTJN-RUHSDIBZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LMIFPRVTIOZTJN-RUHSDIBZSA-N

(Q105153999)

(1S,2R,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

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Identifiers

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