(Q105152852)

English

[(1R,2S,8R,9R,10R,11S,12R,14R)-11-chloro-9,10-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-8-yl] acetate

group of stereoisomers with the chemical formula C₁₇H₂₁ClO₇

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

372.097580692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₁ClO₇

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canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)C)C(O)(C)C3(O)C(Cl)C4OC4(C)C23

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isomeric SMILES

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

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found in taxon

Achillea ligustica

1 reference

stated in

A new guaianolide and other constituents from Achillea ligustica

Identifiers

InChI

InChI=1S/C17H21ClO7/c1-6-8-5-9(23-7(2)19)16(4,21)17(22)11(10(8)24-14(6)20)15(3)13(25-15)12(17)18/h8-13,21-22H,1,5H2,2-4H3/t8?,9-,10+,11+,12+,13+,15-,16-,17+/m1/s1

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InChIKey

LJVWEMBASBCCFD-KVKYXKAISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJVWEMBASBCCFD-KVKYXKAISA-N

(Q105152852)

[(1R,2S,8R,9R,10R,11S,12R,14R)-11-chloro-9,10-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-8-yl] acetate

Statements

Identifiers

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