(Q104997700)

English

(2S,3S,5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine

chemical compound

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instance of

type of chemical entity

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1 reference

(2Z,4Z)-2-(1-bromopropylidene)-7-chloro-8-[(2E)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydrooxocine

1 reference

based on heuristic

inferred from SMILES

(3S,5Z,8E)-8-(1-bromopropylidene)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine

1 reference

based on heuristic

inferred from SMILES

8-(1-bromopropylidene)-3-chloro-2-(pent-2-en-4-yn-1-yl)-2,3,4,7-tetrahydrooxocine

1 reference

based on heuristic

inferred from SMILES

mass

328.022954976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(E)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₈BrClO

0 references

canonical SMILES

ClC1CC=CCC(OC1CC=CC#C)=C(Br)CC

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isomeric SMILES

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

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found in taxon

Laurencia venusta

1 reference

stated in

THE STRUCTURES OF (3Z)-EPOXYVENUSTIN, (3Z)-VENUSTIN, AND (3Z)-VENUSTINENE, NEW HALOGENATED C15-NONTERPENOIDS FROM THE RED ALGALAURENCIA VENUSTAYAMADA

Identifiers

InChI

InChI=1S/C15H18BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,13,15H,4,9-11H2,2H3/b6-5-,8-7-,14-12-/t13-,15-/m0/s1

0 references

InChIKey

FMCNCJZDZVGTHG-AWVRWISKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FMCNCJZDZVGTHG-AWVRWISKSA-N

(Q104997700)

(2S,3S,5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine

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