(Q105195737)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

6-Methoxy-2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

576.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₁H₅₂O₂

0 references

canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=CC=C(C(=C2C)C)C)C)C)C)C)C(C)(C)CC1OC)C

0 references

isomeric SMILES

CO[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)=C(C)C1=O

0 references

found in taxon

Thorecta

1 reference

stated in

Thorexanthin, a New Carotenoid Pigment from the Caribbean Sponge Thorecta horridus

Identifiers

InChI

InChI=1S/C41H52O2/c1-29(18-14-20-31(3)22-25-37-26-24-33(5)34(6)35(37)7)16-12-13-17-30(2)19-15-21-32(4)23-27-38-36(8)40(42)39(43-11)28-41(38,9)10/h12-27,39H,28H2,1-11H3/b13-12+,18-14+,19-15+,25-22+,27-23+,29-16+,30-17+,31-20+,32-21+/t39-/m1/s1

0 references

InChIKey

OOXBHKYLJNCZTD-FKLYLFBTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOXBHKYLJNCZTD-FKLYLFBTSA-N

(Q105195737)

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

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Identifiers

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