(Q105131526)

English

[(1S,2S,5S,6R,7S)-7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-(3,4-Dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

430.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₇

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canonical SMILES

O=C(OC1C(OC)=CC2(C(=O)C1(OC)C(C3=CC=C(OC)C(OC)=C3)C2C)CC=C)C

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isomeric SMILES

C=CC[C@]12C=C(OC)[C@H](OC(C)=O)[C@](OC)(C1=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]2C

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found in taxon

Ocotea porosa

1 reference

stated in

Bicyclo [3.2.1] octanoid neolignans from Ocotea porosa

Identifiers

InChI

InChI=1S/C24H30O7/c1-8-11-23-13-19(29-6)21(31-15(3)25)24(30-7,22(23)26)20(14(23)2)16-9-10-17(27-4)18(12-16)28-5/h8-10,12-14,20-21H,1,11H2,2-7H3/t14-,20+,21+,23-,24+/m1/s1

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InChIKey

JMMCCVQDQGAKJN-NXYUSSGRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMMCCVQDQGAKJN-NXYUSSGRSA-N

(Q105131526)

[(1S,2S,5S,6R,7S)-7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

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Identifiers

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