(Q105174639)

English

[(1R,3R,4S,6S,8R,9R,10S,11S)-9-acetyloxy-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(9-Acetyloxy-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₉

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canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C(=O)C2OC2C(C)CC3OC(=O)C(=C)C31)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3O[C@@H]3C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12

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found in taxon

Calea ternifolia

1 reference

stated in

Sesquiterpene lactones from Calea leptocephala

Identifiers

InChI

InChI=1S/C22H28O9/c1-7-9(2)20(25)31-16-14-11(4)21(26)29-13(14)8-10(3)15-17(30-15)18(24)22(6,27)19(16)28-12(5)23/h7,10,13-17,19,27H,4,8H2,1-3,5-6H3/b9-7-/t10-,13-,14+,15+,16+,17+,19-,22+/m1/s1

0 references

InChIKey

MXVVWJJXANJEDP-PTNIUONVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MXVVWJJXANJEDP-PTNIUONVSA-N

(Q105174639)

[(1R,3R,4S,6S,8R,9R,10S,11S)-9-acetyloxy-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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