(Q105328406)

English

[(3aR,4R,5R,6S,6aR,9aR,9bR)-5-acetyloxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

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canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C)C2CC=C(C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1CC=C(C)[C@H]21

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found in taxon

Anthemis carpatica

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-10(2)20(24)29-18-16-12(4)21(25)28-17(16)15-11(3)8-9-14(15)22(6,26)19(18)27-13(5)23/h7-8,14-19,26H,4,9H2,1-3,5-6H3/b10-7+/t14-,15+,16-,17-,18-,19-,22+/m1/s1

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InChIKey

XIBTVZWKFHSPAL-ZUIPHYQXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XIBTVZWKFHSPAL-ZUIPHYQXSA-N

(Q105328406)

[(3aR,4R,5R,6S,6aR,9aR,9bR)-5-acetyloxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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