(Q105385693)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 4-(2,3-dimethyloxirane-2-carbonyl)oxy-9-hydroxy-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

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C(OC)C1=CCC(O)C(=CC2OC(=O)C(=C)C2C(OC(=O)C3(OC3C)C)C1)C

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isomeric SMILES

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

0 references

found in taxon

Melampodium leucanthum

1 reference

stated in

A guaianolide and four melampolides from Melampodium leucanthum

Identifiers

InChI

InChI=1S/C21H26O8/c1-10-8-15-17(11(2)18(23)27-15)16(28-20(25)21(4)12(3)29-21)9-13(19(24)26-5)6-7-14(10)22/h6,8,12,14-17,22H,2,7,9H2,1,3-5H3/b10-8+,13-6+/t12-,14+,15-,16-,17+,21-/m1/s1

0 references

InChIKey

ZXPYTEJDGFBPMI-SXKZJOKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXPYTEJDGFBPMI-SXKZJOKFSA-N

(Q105385693)

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

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