(Q110193957)

English

(1S,3R,4S,6S,7S,9R)-4-bromo-6-chloro-3-ethyl-9-pent-2-en-4-ynyl-2,8-dioxabicyclo[5.2.1]decane

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,3R,4S,6S,7S)-4-bromo-6-chloro-3-ethyl-9-[(2Z)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decane

1 reference

based on heuristic

inferred from SMILES

(1S,4S,6S,7S)-4-bromo-6-chloro-3-ethyl-9-pent-2-en-4-ynyl-2,8-dioxabicyclo[5.2.1]decane

1 reference

based on heuristic

inferred from SMILES

(1S,3R,4S,6S,7S)-4-bromo-6-chloro-3-ethyl-9-[(2E)-pent-2-en-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decane

1 reference

based on heuristic

inferred from SMILES

4-Bromo-6-chloro-3-ethyl-9-pent-2-en-4-ynyl-2,8-dioxabicyclo[5.2.1]decane

1 reference

based on heuristic

inferred from SMILES

mass

346.03351966 dalton

1 reference

2 references

inferred from InChIKey

1 reference

(1S,3R,4S,6S,7S,9R)-4-bromo-6-chloro-3-ethyl-9-[(E)-pent-2-en-4-ynyl]-2,8-dioxabicyclo[5.2.1]decane

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀BrClO₂

0 references

canonical SMILES

ClC1CC(Br)C(OC2CC1OC2CC=CC#C)CC

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isomeric SMILES

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

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found in taxon

Laurencia elata

1 reference

stated in

Phytochemical studies of the southern Australian marine alga, Laurencia elata.

Identifiers

InChI

InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-15-9-14(19-13)11(17)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/t10-,11-,12+,13+,14-,15-/m0/s1

0 references

InChIKey

VRGYZGMXCGNRKB-SAAWNECCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRGYZGMXCGNRKB-SAAWNECCSA-N

(Q110193957)

(1S,3R,4S,6S,7S,9R)-4-bromo-6-chloro-3-ethyl-9-pent-2-en-4-ynyl-2,8-dioxabicyclo[5.2.1]decane

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Identifiers

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