(Q105185113)

English

[(4R,5R,6S,10E,11aR)-3-(acetyloxymethyl)-5-hydroxy-6,10-dimethyl-2,7-dioxo-4,5,6,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

[3-(Acetyloxymethyl)-5-hydroxy-6,10-dimethyl-2,7-dioxo-4,5,6,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2C=C(C)CCC(=O)C(C)C1O)COC(=O)C)C(=C)C

0 references

isomeric SMILES

C=C(C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@@H](C)[C@H]1O

0 references

Polydora chloropappa

1 reference

Vernocistifolide und andere Sesquiterpenlactone ausVernonia und verwandten Arten

Identifiers

InChI=1S/C21H26O8/c1-10(2)20(25)29-19-17-14(9-27-13(5)22)21(26)28-16(17)8-11(3)6-7-15(23)12(4)18(19)24/h8,12,16,18-19,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,16-,18-,19-/m1/s1

0 references

NSLJTGZGTOMNNG-MYIKBXICSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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