(Q105210589)

English

[(3aS,6E,8R,10Z,11aR)-8-acetyloxy-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

[8-acetyloxy-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 SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C1OC2C=C(COC(=O)CC(C)C)CC(OC(=O)C)C=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)C[C@@H](OC(C)=O)/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/C22H28O8/c1-12(2)5-21(26)28-11-15-6-17(29-14(4)24)8-16(10-23)19(25)9-18-13(3)22(27)30-20(18)7-15/h7-8,12,17-18,20,23H,3,5-6,9-11H2,1-2,4H3/b15-7-,16-8+/t17-,18+,20-/m1/s1

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InChIKey

PKRVXIIZNSTWTA-JYONKHJDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PKRVXIIZNSTWTA-JYONKHJDSA-N

(Q105210589)

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

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Identifiers

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