(Q105012366)

English

[(1S,3aR,5R,5aS,6S,8S,8aS,9aS)-1,8-dihydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-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

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

1 reference

based on heuristic

inferred from SMILES

mass

382.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₇

0 references

canonical SMILES

O=C(OC1CC(O)C2(C)CC3C(OC(=O)C3(O)CO)CC(C)C12)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@H](O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]3(O)CO

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found in taxon

Hymenoxys lemmonii

1 reference

stated in

Sesquiterpene lactone aglycones and glycosides from Hymenoxys lemmonii

Identifiers

InChI

InChI=1S/C20H30O7/c1-5-10(2)17(23)26-14-7-15(22)19(4)8-12-13(6-11(3)16(14)19)27-18(24)20(12,25)9-21/h5,11-16,21-22,25H,6-9H2,1-4H3/b10-5+/t11-,12+,13-,14+,15+,16-,19-,20-/m1/s1

0 references

InChIKey

GNFIFVXADUGFIS-HPXAHJFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GNFIFVXADUGFIS-HPXAHJFOSA-N

(Q105012366)

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

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