(Q105288556)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

392.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₇

0 references

canonical SMILES

O=C1OC2C=C(CO)CCC=C(COC(=O)C(C)C)C(OC(=O)C)CC2C1=C

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isomeric SMILES

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

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found in taxon

Dicoma schinzii

1 reference

stated in

New germacranolides and other sesquiterpene lactones from Dicoma species

Identifiers

InChI

InChI=1S/C21H28O7/c1-12(2)20(24)26-11-16-7-5-6-15(10-22)8-19-17(13(3)21(25)28-19)9-18(16)27-14(4)23/h7-8,12,17-19,22H,3,5-6,9-11H2,1-2,4H3/b15-8-,16-7+/t17-,18-,19+/m0/s1

0 references

InChIKey

VLPNXKZHFBBOEA-SMOYVTPWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLPNXKZHFBBOEA-SMOYVTPWSA-N

(Q105288556)

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

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Identifiers

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