(Q105228886)

English

(2S)-2beta-[(2Z)-2-Pentene-4-ynyl]-6alpha-bromo-8alpha-(1-bromopropyl)-3beta,5beta-epoxyoxocane

group of stereoisomers with the chemical formula C₁₅H₂₀Br₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

(2S,4R,6R)-6-bromo-4-(1-bromopropyl)-2-[(Z)-pent-2-en-4-ynyl]-3,8-dioxabicyclo[5.1.1]nonane

1 reference

based on heuristic

inferred from SMILES

mass

389.98300408 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀Br₂O₂

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canonical SMILES

BrC(CC)C1OC(CC=CC#C)C2OC(C2)C(Br)C1

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isomeric SMILES

C#C/C=C\C[C@@H]1O[C@@H](C(Br)CC)C[C@@H](Br)[C@H]2C[C@@H]1O2

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found in taxon

Laurencia obtusa

1 reference

stated in

Halogenated secondary metabolites from Laurencia obtusa

Laurencia dendroidea

1 reference

stated in

Halogenated secondary metabolites from Laurencia obtusa

Identifiers

InChI

InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(19-15)11(17)8-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10?,11-,12+,13-,14-,15+/m1/s1

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InChIKey

QVSXXUNREJZJAN-MHESORKQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105228886)

(2S)-2beta-[(2Z)-2-Pentene-4-ynyl]-6alpha-bromo-8alpha-(1-bromopropyl)-3beta,5beta-epoxyoxocane

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