(Q105165445)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₇

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Dicoma schinzii

1 reference

stated in

New germacranolides and other sesquiterpene lactones from Dicoma species

Identifiers

InChI

InChI=1S/C23H32O7/c1-13(2)21(25)28-11-16-7-6-8-17(12-29-22(26)14(3)4)19(24)10-18-15(5)23(27)30-20(18)9-16/h8-9,13-14,18-20,24H,5-7,10-12H2,1-4H3/b16-9-,17-8+/t18-,19-,20+/m0/s1

0 references

InChIKey

MJJQKBCJQVWLDX-CLKUHKAVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJJQKBCJQVWLDX-CLKUHKAVSA-N

(Q105165445)

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

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