(Q105216833)

English

[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2,5-dioxo-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-10-yl]methyl 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(hydroxymethyl)-3-methylidene-2,5-dioxo-3aH,4H,8H,9H,11aH-cyclodeca[b]furan-10-yl]methyl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,6E,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2,5-dioxo-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-10-yl]methyl 3-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1OC2C=C(COC(=O)CC(C)C)CCC=C(C(=O)CC2C1=C)CO

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\COC(=O)CC(C)C)CC/C=C(/CO)C(=O)C[C@@H]12

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found in taxon

Mikania guaco

1 reference

stated in

Germacranolides from Mikania guaco

Identifiers

InChI

InChI=1S/C20H26O6/c1-12(2)7-19(23)25-11-14-5-4-6-15(10-21)17(22)9-16-13(3)20(24)26-18(16)8-14/h6,8,12,16,18,21H,3-5,7,9-11H2,1-2H3/b14-8-,15-6-/t16-,18+/m0/s1

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InChIKey

PYXDBFWTGFQZMF-KFRBSINHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYXDBFWTGFQZMF-KFRBSINHSA-N

NMRShiftDB structure ID

10008157

1 reference

matched by identifier from

InChIKey

PYXDBFWTGFQZMF-KFRBSINHSA-N

(Q105216833)

[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2,5-dioxo-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-10-yl]methyl 3-methylbutanoate

Statements

Identifiers

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