(Q105299698)

English

[(1S,2R,3R,5S,9S,10R,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-3-yl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

phenylethyl n-tricosanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)CC(C)C)C(O)(C)C34OOC(C=C3)(C)C24

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23

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found in taxon

Achillea nobilis

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Achillea odorata

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Aspilia silphioides

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Wedelia silphioides

1 reference

stated in

Bisabolene derivatives and other constituents fromAchillea odorata

Identifiers

InChI

InChI=1S/C20H26O7/c1-10(2)8-14(21)24-13-9-12-11(3)17(22)25-15(12)16-18(4)6-7-20(16,27-26-18)19(13,5)23/h6-7,10,12-13,15-16,23H,3,8-9H2,1-2,4-5H3/t12-,13+,15-,16+,18+,19+,20-/m0/s1

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InChIKey

VZDQQSIOBHVJOY-SKAVYJKCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105299698)

[(1S,2R,3R,5S,9S,10R,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] 3-methylbutanoate

Statements

Identifiers

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