(Q105194623)

English

(2R,3R,4aS,6R,7R,8aS)-3,7-dibromo-6-ethyl-2-pent-2-en-4-ynyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

chemical compound

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instance of

type of chemical entity

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subclass of

3,7-Dibromo-6-ethyl-2-pent-2-en-4-ynyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

1 reference

based on heuristic

inferred from SMILES

mass

389.98300408 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4aR,6S,7S,8aR)-3,7-dibromo-6-ethyl-2-pent-2-en-4-ynyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

1 reference

based on heuristic

inferred from InChI

(2R,3R,4aS,6R,7R,8aS)-3,7-dibromo-6-ethyl-2-[(Z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

1 reference

1 reference

C₁₅H₂₀Br₂O₂

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canonical SMILES

BrC1CC2OC(CC)C(Br)CC2OC1CC=CC#C

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isomeric SMILES

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

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

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InChIKey

ONEBNODSYJNGPV-MBIARJLFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONEBNODSYJNGPV-MBIARJLFSA-N

(Q105194623)

(2R,3R,4aS,6R,7R,8aS)-3,7-dibromo-6-ethyl-2-pent-2-en-4-ynyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

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