(Q105128469)

English

(1R,5R,6S,7S,8S)-3-Methoxy-5-(2-propenyl)-6-methyl-7-(1,3-benzodioxol-5-yl)-8-hydroxybicyclo[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

7-(2H-1,3-benzodioxol-5-yl)-8-hydroxy-3-methoxy-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

342.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,5R,6R,7R,8R)-3-Methoxy-5-(2-propenyl)-6-methyl-7-(1,3-benzodioxol-5-yl)-8-hydroxybicyclo[3.2.1]oct-3-en-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₅

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Ocotea porosa

1 reference

stated in

Neolignans from bark and leaves of Ocotea porosa

Identifiers

InChI

InChI=1S/C20H22O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-17,19,22H,1,7,10H2,2-3H3/t11-,16+,17-,19-,20-/m0/s1

0 references

InChIKey

JHWGCFRPWLMZDI-VDOWYZRVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHWGCFRPWLMZDI-VDOWYZRVSA-N

1 reference

(Q105128469)

(1R,5R,6S,7S,8S)-3-Methoxy-5-(2-propenyl)-6-methyl-7-(1,3-benzodioxol-5-yl)-8-hydroxybicyclo[3.2.1]oct-3-en-2-one

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Identifiers

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