(Q105127723)

English

[(3aR,5R,5aS,6S,8S,8aR,9R,9aS)-6-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2C(C)CC3OC(=O)C(=C)C3C(O)C12C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Helenium puberulum

1 reference

stated in

Pseudoguaianolides and guaianolides from Helenium puberulum

Identifiers

InChI

InChI=1S/C22H30O7/c1-7-10(2)20(25)29-16-9-15(27-13(5)23)18-11(3)8-14-17(12(4)21(26)28-14)19(24)22(16,18)6/h7,11,14-19,24H,4,8-9H2,1-3,5-6H3/b10-7+/t11-,14-,15+,16+,17-,18-,19-,22-/m1/s1

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InChIKey

JGUGCVXRWPNSLW-VLBFQTKKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JGUGCVXRWPNSLW-VLBFQTKKSA-N

(Q105127723)

[(3aR,5R,5aS,6S,8S,8aR,9R,9aS)-6-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (E)-2-methylbut-2-enoate

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