(Q104952643)

English

[(1S,2S,6S,8R,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl] 3-methylbutanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(10-Hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl) 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

[(1S,2S,8R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)CC(C)C)C3(C)C(O)CC4OC4(C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@@H](O)C[C@H]3O[C@@]3(C)[C@H]21

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Pluchea dioscoridis

2 references

Eudesmanolides from Pluchea dioscoridis

New .ALPHA.-cyclocostunolide and isocostic acid derivatives from Pluchea dioscoridis.

Identifiers

InChI=1S/C20H28O6/c1-9(2)6-15(22)24-13-7-11-10(3)18(23)25-16(11)17-19(13,4)12(21)8-14-20(17,5)26-14/h9,11-14,16-17,21H,3,6-8H2,1-2,4-5H3/t11-,12-,13+,14+,16-,17+,19+,20+/m0/s1

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CBQFGDQOTBNMNS-LSOIEAKTSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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