(Q105368067)

English

2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

carotenoid

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mass

550.417466348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O

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canonical SMILES

O=C1CCC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C)C)C)C1(C)C)C

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isomeric SMILES

CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCC(=O)C1(C)C

1 reference

based on heuristic

inferred from InChI

found in taxon

Anisomorpha buprestoides

1 reference

stated in

3,4-Didehydro-β,β-caroten-2-one, a new carotenoid from the eggs of the stick insect Anisomorpha buprestoides

Identifiers

InChI

InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-21,23-24,26-27H,15,22,25,28-29H2,1-10H3/b12-11+,18-13?,19-14+,26-23?,27-24+,30-16?,31-17+,32-20?,33-21+

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InChIKey

YXPMCBGFLULSGQ-YHEDCBSUSA-N

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(Q105368067)

2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-one

Statements

Identifiers

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