(Q104909776)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OCC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C)C1)CO)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Melampodium linearilobum

1 reference

stated in

New germacrolide- and heliangolide-type sesquiterpene lactones from Melampodium linearilobum

Identifiers

InChI

InChI=1S/C22H28O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-19-20(14(3)22(26)29-19)18(10-17)28-15(4)24/h5,8-9,18-20,23H,3,6-7,10-12H2,1-2,4H3/b13-5+,16-9-,17-8-/t18-,19+,20-/m1/s1

0 references

InChIKey

ADTBMZQXGAKNHO-BEVBHACESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ADTBMZQXGAKNHO-BEVBHACESA-N

(Q104909776)

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

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Identifiers

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