(Q105146917)

English

(1S,5S)-4beta-Acetoxy-3,5-dimethoxy-7alpha-methyl-1-(2-propenyl)-6beta-(4-hydroxy-3-methoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[7-(4-Hydroxy-3-methoxyphenyl)-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

416.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,5S)-4alpha-Acetoxy-3,5-dimethoxy-7beta-methyl-1-(2-propenyl)-6alpha-(4-hydroxy-3-methoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₇

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canonical SMILES

O=C(OC1C(OC)=CC2(C(=O)C1(OC)C(C3=CC=C(O)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(O)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/C23H28O7/c1-7-10-22-12-18(28-5)20(30-14(3)24)23(29-6,21(22)26)19(13(22)2)15-8-9-16(25)17(11-15)27-4/h7-9,11-13,19-20,25H,1,10H2,2-6H3/t13-,19+,20+,22+,23-/m0/s1

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InChIKey

KWGFFDIDMPKHGO-ZCNKMBLMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KWGFFDIDMPKHGO-ZCNKMBLMSA-N

1 reference

(Q105146917)

(1S,5S)-4beta-Acetoxy-3,5-dimethoxy-7alpha-methyl-1-(2-propenyl)-6beta-(4-hydroxy-3-methoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one

Statements

Identifiers

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