(Q104996941)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,14-Dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

O=C(OC1CC(=C)C2CC3OC3(C)C2C4OC(=O)C(C)C14)CC(C)C

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isomeric SMILES

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

Artemisia douglasiana

1 reference

stated in

11β,13-Dihydroguaianolides from Artemisia douglasiana and a thiophene acetylene from A. schmidtiana

Identifiers

InChI

InChI=1S/C20H28O5/c1-9(2)6-15(21)23-13-7-10(3)12-8-14-20(5,25-14)17(12)18-16(13)11(4)19(22)24-18/h9,11-14,16-18H,3,6-8H2,1-2,4-5H3/t11-,12-,13-,14+,16+,17-,18-,20+/m0/s1

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InChIKey

FLCDHJSSRHACJF-DMYRLNDZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLCDHJSSRHACJF-DMYRLNDZSA-N

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