(Q105021342)

English

[(2R,4aR,5R,8aR)-5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-8-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 3-methylbutanoate

chemical compound

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Statements

type of chemical entity

0 references

[5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-8-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

540.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₀O₈

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canonical SMILES

O=C1OC=2C(OC)=C(OCC3C(=CC(=O)C4C(C)(C)C(OC(=O)CC(C)C)CCC34C)C)C(OC)=CC2C=C1

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isomeric SMILES

COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC(=O)[C@H]2C(C)(C)[C@H](OC(=O)CC(C)C)CC[C@]12C

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Tanacetum heterotomum

1 reference

A sesquiterpene-coumarin ether and an acetylenic compound from Tanacetum heterotomum

Identifiers

InChI=1S/C31H40O8/c1-17(2)13-25(34)38-23-11-12-31(6)20(18(3)14-21(32)29(31)30(23,4)5)16-37-27-22(35-7)15-19-9-10-24(33)39-26(19)28(27)36-8/h9-10,14-15,17,20,23,29H,11-13,16H2,1-8H3/t20-,23-,29+,31-/m1/s1

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GVKLIHSKKYFORO-UQUZBCKCSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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