(Q105147731)

English

[(1S,2R,6R,7S,10R,12R,14S)-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)CC)CC(=C)C3CC4OC4(C)C23

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isomeric SMILES

C=C1C[C@H](OC(=O)[C@H](C)CC)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]2[C@H]1C[C@H]1O[C@@]21C

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found in taxon

Anthemis melampodina

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C20H26O5/c1-6-9(2)18(21)23-13-7-10(3)12-8-14-20(5,25-14)16(12)17-15(13)11(4)19(22)24-17/h9,12-17H,3-4,6-8H2,1-2,5H3/t9-,12+,13+,14-,15-,16+,17-,20-/m1/s1

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InChIKey

KYHPIHQGFRVZSS-PALPSARMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYHPIHQGFRVZSS-PALPSARMSA-N

(Q105147731)

[(1S,2R,6R,7S,10R,12R,14S)-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (2R)-2-methylbutanoate

Statements

Identifiers

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