(Q105240606)

English

[(2R,4R,5R,6Z,8R)-5-acetyloxy-2-[(E,1R)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-acetyloxy-2-(1-chlorohex-3-en-5-ynyl)-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

[(2R,4R,5R,8R)-5-acetyloxy-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

[(2R,4R,5R,6Z,8R)-5-acetyloxy-2-[(Z)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

368.13905158 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,4R,5R,6Z,8R)-5-acetyloxy-2-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₅ClO₅

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canonical SMILES

O=C(OC1C=CC(OC(CC1OC(=O)C)C(Cl)CC=CC#C)CC)C

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isomeric SMILES

C#C/C=C/C[C@@H](Cl)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)/C=C\[C@@H](CC)O1

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found in taxon

Laurencia thyrsifera

1 reference

stated in

A new vinyl acetylene from the red alga Laurencia thyrsifera

Identifiers

InChI

InChI=1S/C19H25ClO5/c1-5-7-8-9-16(20)18-12-19(24-14(4)22)17(23-13(3)21)11-10-15(6-2)25-18/h1,7-8,10-11,15-19H,6,9,12H2,2-4H3/b8-7+,11-10-/t15-,16-,17-,18-,19-/m1/s1

0 references

InChIKey

RLYHYXSICKPCGG-QCKHIADQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RLYHYXSICKPCGG-QCKHIADQSA-N

(Q105240606)

[(2R,4R,5R,6Z,8R)-5-acetyloxy-2-[(E,1R)-1-chlorohex-3-en-5-ynyl]-8-ethyl-3,4,5,8-tetrahydro-2H-oxocin-4-yl] acetate

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