(Q105152976)

English

(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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

344.062321252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Laurendecumenyne A

2 references

based on heuristic

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

2 references

based on heuristic

inferred from InChIKey

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,3R,4S,6R,8R,10R)-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

chemical formula

C₁₅H₂₁BrO₄

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

Laurencia decumbens

1 reference

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

Identifiers

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/b6-5-/t10-,11+,12+,13-,14+,15+/m1/s1

0 references

LKCIGYCRLQLMBC-BJZZAQRHSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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