(Q105027489)

English

(1S,2R,5S,6S,7R,8R)-7-(1,3-benzodioxol-5-yl)-2,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,2S,5R,6R,7S)-7-(1,3-benzodioxol-5-yl)-2,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one

1 reference

based on heuristic

inferred from SMILES

7-(1,3-Benzodioxol-5-yl)-2,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

1 reference

(1S,2R,5S,6S,7R,8S)-7-(1,3-benzodioxol-5-yl)-2,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C1CC2(CC=C)C(O)C(OC)(C1O)C(C3=CC=C4OCOC4=C3)C2C

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isomeric SMILES

C=CC[C@]12CC(=O)[C@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O

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found in taxon

Licaria canella

1 reference

stated in

The neolignans of Licaria canella

Identifiers

InChI

InChI=1S/C20H24O6/c1-4-7-19-9-13(21)17(22)20(24-3,18(19)23)16(11(19)2)12-5-6-14-15(8-12)26-10-25-14/h4-6,8,11,16-18,22-23H,1,7,9-10H2,2-3H3/t11-,16+,17-,18+,19-,20+/m0/s1

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InChIKey

HFRUTFXBVKAWAM-NUWPPSGTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFRUTFXBVKAWAM-NUWPPSGTSA-N

(Q105027489)

(1S,2R,5S,6S,7R,8R)-7-(1,3-benzodioxol-5-yl)-2,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one

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