(Q105323172)

English

[(1S,2R,3R,5S,9S,10S,11R,12R,13S)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(12-Chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

372.097580692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₁ClO₇

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)C)C(O)(C)C34OC4C(Cl)C(O)(C)C23

0 references

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](Cl)[C@](C)(O)[C@H]23

0 references

found in taxon

Achillea clavennae

1 reference

stated in

Cytotoxic constituents of Achillea clavennae from Montenegro.

Identifiers

InChI

InChI=1S/C17H21ClO7/c1-6-8-5-9(23-7(2)19)16(4,22)17-11(10(8)24-14(6)20)15(3,21)12(18)13(17)25-17/h8-13,21-22H,1,5H2,2-4H3/t8-,9+,10-,11-,12+,13+,15+,16+,17-/m0/s1

0 references

InChIKey

WZHNDBOONHRJEN-JQYQDLBDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZHNDBOONHRJEN-JQYQDLBDSA-N

(Q105323172)

[(1S,2R,3R,5S,9S,10S,11R,12R,13S)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-3-yl] acetate

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