(Q105268436)

English

1-[(5S)-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[2-[18-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

1-{2-[(17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5-methoxy-3,3-dimethylcyclopent-1-en-1-yl}ethanone

1 reference

based on heuristic

inferred from SMILES

mass

612.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(5S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

1 reference

based on heuristic

inferred from InChI

1-[(5R)-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

1 reference

based on heuristic

inferred from InChI

1-[(5R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₅₆O₄

0 references

canonical SMILES

O=C(C1=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)CC1OC)C

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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\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C1C(C)=O

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found in taxon

Pittosporum tobira

1 reference

stated in

Structure of three new carotenoids with a 3-methoxy-5-keto-5,6-seco-4,6-cyclo-beta end group from the seeds of Pittosporum tobira

Identifiers

InChI

InChI=1S/C41H56O4/c1-29(18-14-20-31(3)22-23-35-37(33(5)42)36(44-11)28-38(35,6)7)16-12-13-17-30(2)19-15-21-32(4)24-25-41-39(8,9)26-34(43)27-40(41,10)45-41/h12-25,34,36,43H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,23-22+,25-24+,29-16+,30-17+,31-20+,32-21-/t34-,36-,40+,41-/m0/s1

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InChIKey

TZVLSBKJAVHHRO-HGNXGVKUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TZVLSBKJAVHHRO-HGNXGVKUSA-N

(Q105268436)

1-[(5S)-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

Statements

Identifiers

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