(Q104916213)

English

2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4,6-Diethyl-6-(4-ethylocta-1,5-dienyl)dioxan-3-yl]acetic acid

1 reference

1 reference

338.245709568 dalton

1 reference

1 reference

2-[(3R,4S,6R)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₄

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canonical SMILES

O=C(O)CC1OOC(C=CCC(C=CCC)CC)(CC)CC1CC

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isomeric SMILES

CC/C=C/[C@H](CC)C/C=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1

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found in taxon

Plakortis simplex

1 reference

stated in

Metabolites from the Sponge Plakortis simplex. Part 3:[] Isolation and Stereostructure of Novel Bioactive Cycloperoxides and Diol Analogues

Identifiers

InChI

InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-11,13,16-18H,5-8,12,14-15H2,1-4H3,(H,21,22)/b11-9+,13-10+/t16-,17+,18-,20+/m0/s1

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InChIKey

APFBSUUYUMZERZ-HQGXGXPHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APFBSUUYUMZERZ-HQGXGXPHSA-N

(Q104916213)

2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid

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Identifiers

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