(Q105020678)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-[(acetyloxy)methyl]but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6Z,9R,10Z,11aS)-9-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C(OC1CC(=CCC(O)C(=CC2OC(=O)C(=C)C21)C)CO)C(=CC)COC(=O)C

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isomeric SMILES

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

0 references

found in taxon

Stevia vaga

1 reference

stated in

Sesquiterpene lactones from Stevia vaga

Identifiers

InChI

InChI=1S/C22H28O8/c1-5-16(11-28-14(4)24)22(27)30-19-9-15(10-23)6-7-17(25)12(2)8-18-20(19)13(3)21(26)29-18/h5-6,8,17-20,23,25H,3,7,9-11H2,1-2,4H3/b12-8-,15-6-,16-5+/t17-,18-,19+,20-/m0/s1

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InChIKey

GUVXVIGSSHXLHI-JTVNRMEUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105020678)

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

Statements

Identifiers

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