(Q105152274)

English

(1R,5S,6R,7S,8S)-8-hydroxy-1,3-dimethoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,5R,6S,7R)-8-hydroxy-1,3-dimethoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

8-hydroxy-1,3-dimethoxy-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₇

0 references

canonical SMILES

O=C1C(OC)=CC2(CC=C)C(O)C1(OC)C(C3=CC(OC)=C4OCOC4=C3)C2C

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isomeric SMILES

C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O

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found in taxon

Licaria brasiliensis

1 reference

stated in

Bicyclo[3.2.1]Octanoid neolignans from Licaria brasiliensis

Identifiers

InChI

InChI=1S/C22H26O7/c1-6-7-21-10-16(26-4)19(23)22(27-5,20(21)24)17(12(21)2)13-8-14(25-3)18-15(9-13)28-11-29-18/h6,8-10,12,17,20,24H,1,7,11H2,2-5H3/t12-,17+,20+,21-,22+/m1/s1

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InChIKey

LIMAHKTZLOPDFY-WONUAQQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIMAHKTZLOPDFY-WONUAQQBSA-N

(Q105152274)

(1R,5S,6R,7S,8S)-8-hydroxy-1,3-dimethoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one

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