(Q104947056)

English

(2S,3S,5Z,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

chemical compound

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instance of

type of chemical entity

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subclass of

8-(1-bromopropyl)-3-chloro-2-pent-2-en-4-ynyl-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from SMILES

mass

330.03860504 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

trans-Pinnatifidenyne

1 reference

based on heuristic

inferred from InChIKey

(2R,3R,8R)-8-[(1R)-1-bromopropyl]-3-chloro-2-pent-2-en-4-ynyl-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

(2S,3S,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

7alpha-Chloro-8alpha-[(E)-2-pentene-4-yne-1-yl]-2beta-[(S)-1-bromopropyl]-2,3,7,8-tetrahydro-6H-oxocin

1 reference

based on heuristic

inferred from InChI

(2S)-2alpha-[(R)-1-Bromopropyl]-7alpha-chloro-2,3,6,7-tetrahydro-8alpha-[(2E)-2-pentene-4-ynyl]-8H-oxocin

1 reference

based on heuristic

inferred from InChI

(2S,3R,5Z,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

(2S,3S,8S)-8-[(S)-1-Bromopropyl]-3-chloro-3,4,7,8-tetrahydro-2-[(E)-2-pentene-4-ynyl]-2H-oxocin

1 reference

based on heuristic

inferred from InChI

(2R,3R,8S)-2-[(E)-2-Pentene-4-ynyl]-3-chloro-8-[(1S)-1-bromopropyl]-3,4,7,8-tetrahydro-2H-oxocin

1 reference

based on heuristic

inferred from InChI

(2S,3R,5Z,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(E)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

(2S,3S,5Z,8R)-8-[(1S)-1-bromopropyl]-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

(2S,3S,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(E)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀BrClO

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

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found in taxon

Aplysia fasciata

1 reference

stated in

Metabolites from the sea hare Aplysia fasciata.

Laurencia claviformis

1 reference

stated in

A New C15Acetogenin from the Marine AlgaLaurencia claviformis

Identifiers

InChI

InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,12-15H,4,9-11H2,2H3/b6-5-,8-7-/t12-,13+,14+,15+/m1/s1

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InChIKey

BWALZYVILRSXNY-FBMKLUCASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWALZYVILRSXNY-FBMKLUCASA-N

1 reference

(Q104947056)

(2S,3S,5Z,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine

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