(Q105170327)

English

[(3aS,4R,5S,9R,9aS,9bS)-5-acetyloxy-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R)-2-methylbutanoate

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=C1OC2C(C1=C)C(OC(=O)C(C)CC)C(OC(=O)C)C(=C3C=CC(O)(C)C32)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C(C)=C1C=C[C@@](C)(O)[C@@H]12

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found in taxon

Inulanthera montana

1 reference

stated in

Neuartige sesquiterpenlactone und neue acetylenverbingen aus Athanasia-arten

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-10(2)20(24)29-19-15-12(4)21(25)28-18(15)16-14(8-9-22(16,6)26)11(3)17(19)27-13(5)23/h8-10,15-19,26H,4,7H2,1-3,5-6H3/t10-,15+,16+,17+,18+,19-,22-/m1/s1

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InChIKey

MQXALGXBIRLRKH-LLBQUHLGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQXALGXBIRLRKH-LLBQUHLGSA-N

(Q105170327)

[(3aS,4R,5S,9R,9aS,9bS)-5-acetyloxy-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R)-2-methylbutanoate

Statements

Identifiers

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