(Q105386611)

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Neoisoprelaurefucin

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,3R,5R,6R)-5-bromo-3-(1-bromopropyl)-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

(1S,3R,5S,6S,8S)-5-bromo-3-(1-bromopropyl)-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

(1R,3R,5R,6R)-5-bromo-3-(1-bromopropyl)-8-[(E)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

(1S,3R,5S,6S,8S)-5-bromo-3-(1-bromopropyl)-8-[(2E)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

(1R,3R,5R,6R,8R)-5-bromo-3-(1-bromopropyl)-8-[(2Z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

5-Bromo-3-(1-bromopropyl)-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from SMILES

mass

389.98300408 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,5R,6R,8S)-5-bromo-3-[(1S)-1-bromopropyl]-8-[(E)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,5R,6R,8S)-5-bromo-3-[(1S)-1-bromopropyl]-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.1]nonane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,5R,6R,8S)-5-bromo-3-[(1S)-1-bromopropyl]-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,5S,6R,8S)-5-bromo-3-[(1R)-1-bromopropyl]-8-[(E)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀Br₂O₂

0 references

canonical SMILES

BrC(CC)C1OC2CC(OC2CC=CC#C)C(Br)C1

0 references

isomeric SMILES

C#C/C=C\C[C@@H]1O[C@H]2C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H]2Br

0 references

found in taxon

Laurencia nipponica

1 reference

stated in

Neoisoprelaurefucin, a halogenated C15 non-terpenoid compound from Laurencia nipponica

Laurencia obtusa

1 reference

stated in

Halogenated secondary metabolites from Laurencia obtusa

Laurencia dendroidea

1 reference

stated in

Halogenated secondary metabolites from Laurencia obtusa

Laurencia okamurae

1 reference

stated in

Two new halogenated chamigrane-type sesquiterpenes and other secondary metabolites from the marine red alga Laurencia okamurai and their chemotaxonomic significance

Identifiers

InChI

InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(18-12)11(17)8-13(19-15)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11-,12-,13+,14-,15-/m0/s1

0 references

InChIKey

ZZAINMHCOZIURO-UKHVYIHUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZAINMHCOZIURO-UKHVYIHUSA-N

1 reference

(Q105386611)

Neoisoprelaurefucin

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