(Q105218068)

English

[(3aR,4S,6Z,10Z,11aR)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-Acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 3-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C1OC2C=C(CO)CCC=C(COC(=O)C(C)C(O)C)CC(OC(=O)C)C2C1=C

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isomeric SMILES

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

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found in taxon

Dicoma anomala

1 reference

stated in

Sesquiterpene lactones from Dicoma species

Identifiers

InChI

InChI=1S/C22H30O8/c1-12(14(3)24)21(26)28-11-17-7-5-6-16(10-23)8-19-20(13(2)22(27)30-19)18(9-17)29-15(4)25/h7-8,12,14,18-20,23-24H,2,5-6,9-11H2,1,3-4H3/b16-8-,17-7-/t12-,14+,18+,19-,20-/m1/s1

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InChIKey

QBXHZJQRALHGNV-WOQJDRDOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105218068)

[(3aR,4S,6Z,10Z,11aR)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate

Statements

Identifiers

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