(Q105128960)

English

(3aS,4S,5S,11aR)-5-(acetyloxy)-6-(methoxycarbonyl)-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Methyl 5-acetyloxy-4-(2,3-dimethyloxirane-2-carbonyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

448.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-4-[(2S,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (3aS,4S,5S,6E,10Z,11aR)-5-acetyloxy-4-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (3aR,4S,5S,6E,10Z,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₉

0 references

canonical SMILES

O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C3(OC3C)C)C1OC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12

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found in taxon

Enydra fluctuans

1 reference

stated in

Melampolides from Enydra anagallis

Smallanthus sonchifolius

3 references

stated in

Purification and identification of antimicrobial sesquiterpene lactones from yacon (Smallanthus sonchifolius) leaves

stated in

Antifungal melampolides from leaf extracts of Smallanthus sonchifolius

stated in

Effect of epoxides and α-methylene-γ-lactone skeleton of sesquiterpenes from yacon (Smallanthus sonchifolius) leaves on caspase-dependent apoptosis and NF-κB inhibition in human cercival cancer cells

Identifiers

InChI

InChI=1S/C23H28O9/c1-11-8-7-9-15(21(26)28-6)18(29-14(4)24)19(31-22(27)23(5)13(3)32-23)17-12(2)20(25)30-16(17)10-11/h9-10,13,16-19H,2,7-8H2,1,3-6H3/b11-10+,15-9+/t13-,16-,17+,18+,19+,23-/m1/s1

0 references

InChIKey

JIEVJXRUYDZFTD-CVQTXJQTSA-N

0 references

CAS Registry Number

24694-79-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105128960)

(3aS,4S,5S,11aR)-5-(acetyloxy)-6-(methoxycarbonyl)-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

Statements

Identifiers

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