(Q105168505)

English

[(3S,3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-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-(hydroxymethyl)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(C)C21)C)CO)C(=CC)C

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isomeric SMILES

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

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found in taxon

Blainvillea acmella

2 references

stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Spilanthes acmella

2 references

stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Identifiers

InChI

InChI=1S/C20H28O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,14,16-18,21H,6-7,10-11H2,1-4H3/b12-9+,13-5+,15-8-/t14-,16+,17+,18-/m0/s1

0 references

InChIKey

MNOLRUXIMYONOV-IEYBGKPCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNOLRUXIMYONOV-IEYBGKPCSA-N

(Q105168505)

[(3S,3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

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