(Q105348325)

English

[(1S)-4-[(3E,5E,7E,9E,11E)-12-[(2R)-4-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxo-2H-furan-2-yl]-3,10-dimethyldodeca-3,5,7,9,11-pentaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-[12-[4-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)ethenyl]-5-oxo-2H-furan-2-yl]-3,10-dimethyldodeca-3,5,7,9,11-pentaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

626.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₀O₆

0 references

canonical SMILES

O=C1OC(C=CC(=CC=CC=CC=C(C#CC2=C(C)CC(OC(=O)C)CC2(C)C)C)C)C=C1C=CC34OC4(C)CC(O)CC3(C)C

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isomeric SMILES

CC(=O)O[C@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C/[C@@H]2C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C1

0 references

found in taxon

Corbicula japonica

1 reference

stated in

Structure of new carotenoids from corbicula clam Corbicula japonica

Identifiers

InChI

InChI=1S/C40H50O6/c1-27(14-12-10-11-13-15-28(2)17-19-35-29(3)22-34(44-30(4)41)26-37(35,5)6)16-18-33-23-31(36(43)45-33)20-21-40-38(7,8)24-32(42)25-39(40,9)46-40/h10-16,18,20-21,23,32-34,42H,22,24-26H2,1-9H3/b12-10+,13-11+,18-16+,21-20+,27-14+,28-15+/t32-,33+,34-,39+,40-/m0/s1

0 references

InChIKey

YHALEYQLPSBELZ-WCUPGJSQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YHALEYQLPSBELZ-WCUPGJSQSA-N

(Q105348325)

[(1S)-4-[(3E,5E,7E,9E,11E)-12-[(2R)-4-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxo-2H-furan-2-yl]-3,10-dimethyldodeca-3,5,7,9,11-pentaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

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Identifiers

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