(Q105114357)

English

(1S,5S)-4beta-Acetoxy-3,5-dimethoxy-7alpha-methyl-1-(2-propenyl)-6beta-(7-methoxy-1,3-benzodioxol-5-yl)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

[1,3-Dimethoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-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

444.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₈

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canonical SMILES

O=C(OC1C(OC)=CC2(C(=O)C1(OC)C(C3=CC(OC)=C4OCOC4=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](c1cc(OC)c3c(c1)OCO3)[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/C24H28O8/c1-7-8-23-11-18(28-5)21(32-14(3)25)24(29-6,22(23)26)19(13(23)2)15-9-16(27-4)20-17(10-15)30-12-31-20/h7,9-11,13,19,21H,1,8,12H2,2-6H3/t13-,19+,21+,23+,24-/m0/s1

0 references

InChIKey

IKGHQJOYXBZQLO-JEJXRQIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKGHQJOYXBZQLO-JEJXRQIPSA-N

1 reference

(Q105114357)

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

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Identifiers

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