(Q105022166)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

336.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

Achillea ligustica

1 reference

Guaianolides and other constituents of Achillea ligustica

Achillea millefolium

1 reference

Peroxide als Pflanzeninhaltsstoffe, 14. Mitt.: Über weitere Guaianolid-Peroxide aus der Schafgarbe,Achillea millefolium L.

Identifiers

InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1

0 references

GWCCKOPANXZXHK-GWMRQPHLSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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