(Q105155812)

English

1-[(5S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-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-[16-(6-Hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

612.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₅₆O₄

0 references

canonical SMILES

O=C(C1=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C)C2OC3(C(=C2)C(C)(C)CC(O)C3)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@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)=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/c1-28(18-14-19-30(3)22-23-34-38(32(5)42)36(44-11)27-39(34,6)7)16-12-13-17-29(2)20-15-21-31(4)35-24-37-40(8,9)25-33(43)26-41(37,10)45-35/h12-24,33,35-36,43H,25-27H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,28-16+,29-17+,30-19+,31-21+/t33-,35+,36-,41+/m0/s1

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InChIKey

LQTYTDQLTBOONL-HRGYQAPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LQTYTDQLTBOONL-HRGYQAPYSA-N

(Q105155812)

1-[(5S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-5-methoxy-3,3-dimethylcyclopenten-1-yl]ethanone

Statements

Identifiers

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