(Q105123480)

English

[(2S,3R,5S,6S,8R)-6-acetyloxy-8-[(1S)-1-bromopropyl]-5-chloro-2-[(Z)-pent-2-en-4-ynyl]oxocan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2R,4S,5S,7R,8S)-7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-[(2Z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

[6-Acetyloxy-8-(1-bromopropyl)-5-chloro-2-pent-2-en-4-ynyloxocan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

448.065213712 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,5S,6S,8R)-6-acetyloxy-8-[(1R)-1-bromopropyl]-5-chloro-2-[(E)-pent-2-en-4-ynyl]oxocan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(2S,3R,5S,6S,8R)-6-acetyloxy-8-[(1R)-1-bromopropyl]-5-chloro-2-pent-2-en-4-ynyloxocan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(2S,3R,5S,6S,8R)-6-acetyloxy-8-[(1S)-1-bromopropyl]-5-chloro-2-[(E)-pent-2-en-4-ynyl]oxocan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆BrClO₅

0 references

canonical SMILES

O=C(OC1CC(OC(CC=CC#C)C(OC(=O)C)CC1Cl)C(Br)CC)C

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isomeric SMILES

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

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found in taxon

Laurencia dendroidea

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stated in

C(15) Acetogenins from the red alga Laurencia obtusa

Laurencia obtusa

1 reference

stated in

C(15) Acetogenins from the red alga Laurencia obtusa

Identifiers

InChI

InChI=1S/C19H26BrClO5/c1-5-7-8-9-16-19(25-13(4)23)10-15(21)18(24-12(3)22)11-17(26-16)14(20)6-2/h1,7-8,14-19H,6,9-11H2,2-4H3/b8-7-/t14-,15-,16-,17+,18-,19+/m0/s1

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InChIKey

IZUAHIQVPWUNPB-OYNKFBMBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZUAHIQVPWUNPB-OYNKFBMBSA-N

(Q105123480)

[(2S,3R,5S,6S,8R)-6-acetyloxy-8-[(1S)-1-bromopropyl]-5-chloro-2-[(Z)-pent-2-en-4-ynyl]oxocan-3-yl] acetate

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