(Q105302291)

English

[(1S,2R,3R,5S,9S,10S,11R,13S,14R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

336.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₀O₇

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canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)C)C(O)(C)C34OC4C5OC5(C)C23

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isomeric SMILES

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

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found in taxon

Achillea clavennae

1 reference

stated in

Cytotoxic constituents of Achillea clavennae from Montenegro.

Identifiers

InChI

InChI=1S/C17H20O7/c1-6-8-5-9(21-7(2)18)16(4,20)17-11(10(8)22-14(6)19)15(3)12(23-15)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1

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InChIKey

WDDXTILZUUVECD-BJVHOVFPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDDXTILZUUVECD-BJVHOVFPSA-N

1 reference

(Q105302291)

[(1S,2R,3R,5S,9S,10S,11R,13S,14R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-3-yl] acetate

Statements

Identifiers

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