(Q105152979)

English

(1S,3R,4S,6R,8R,10R)-4-bromo-3-ethyl-10-hydroperoxy-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.2]decane

chemical compound

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instance of

type of chemical entity

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subclass of

4-Bromo-3-ethyl-10-hydroperoxy-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.2]decane

1 reference

based on heuristic

inferred from SMILES

mass

344.062321252 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,4S,6R,8S,10R)-4-bromo-3-ethyl-10-hydroperoxy-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.2]decane

1 reference

based on heuristic

inferred from InChI

(1S,3S,4R,6R,8S,10S)-4-bromo-3-ethyl-10-hydroperoxy-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.2]decane

1 reference

based on heuristic

inferred from InChI

(1S,3S,4R,6R,8S,10S)-4-bromo-3-ethyl-10-hydroperoxy-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.2]decane

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁BrO₄

0 references

canonical SMILES

BrC1CC2OC(CC=CC#C)C(OC1CC)CC2OO

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isomeric SMILES

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

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found in taxon

Laurencia decumbens

1 reference

stated in

Laurendecumallenes A-B and laurendecumenynes A-B, halogenated nonterpenoid C(15)-acetogenins from the marine red alga Laurencia decumbens

Identifiers

InChI

InChI=1S/C15H21BrO4/c1-3-5-6-7-12-14-9-15(20-17)13(19-12)8-10(16)11(4-2)18-14/h1,5-6,10-15,17H,4,7-9H2,2H3/t10-,11+,12+,13+,14-,15+/m0/s1

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InChIKey

LKCIGYCRLQLMBC-RUDNTAQLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKCIGYCRLQLMBC-RUDNTAQLSA-N

(Q105152979)

(1S,3R,4S,6R,8R,10R)-4-bromo-3-ethyl-10-hydroperoxy-8-pent-2-en-4-ynyl-2,7-dioxabicyclo[4.2.2]decane

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Identifiers

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