(Q105269436)

English

methyl (3aS,4S,5S,6E,11S,11aS)-5-acetyloxy-11-hydroxy-4-[(Z)-2-methylbut-2-enoyl]oxy-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 5-acetyloxy-11-hydroxy-4-(2-methylbut-2-enoyloxy)-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

448.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₉

0 references

canonical SMILES

O=C(OC)C1=CCCC(=C)C(O)C2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C1OC(=O)C

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isomeric SMILES

C=C1CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1O

0 references

found in taxon

Melampodium longipilum

1 reference

stated in

Sesquiterpene and diterpene lactones from melampodium longipilum

Identifiers

InChI

InChI=1S/C23H28O9/c1-7-11(2)21(26)32-20-16-13(4)22(27)31-19(16)17(25)12(3)9-8-10-15(23(28)29-6)18(20)30-14(5)24/h7,10,16-20,25H,3-4,8-9H2,1-2,5-6H3/b11-7-,15-10+/t16-,17-,18-,19-,20-/m0/s1

0 references

InChIKey

UBKIBKNWRDSTBV-AHRNSYHRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBKIBKNWRDSTBV-AHRNSYHRSA-N

(Q105269436)

methyl (3aS,4S,5S,6E,11S,11aS)-5-acetyloxy-11-hydroxy-4-[(Z)-2-methylbut-2-enoyl]oxy-3,10-dimethylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-6-carboxylate

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