(Q104914667)

English

[(3S,3aR,4R,9aR,9bS)-3,6,9-trimethyl-4-(2-methylpropanoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] (Z)-2-methylbut-2-enoate

chemical compound

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type of chemical entity

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1 reference

[3,6,9-trimethyl-4-(2-methylpropanoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

430.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₇

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canonical SMILES

O=C(OC1(C(=O)OC2C3C(C(=O)C=C3C)=C(C)CC(OC(=O)C(C)C)C21)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)C(C)C)[C@H]21

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found in taxon

Ferula olgae

1 reference

stated in

Sesquiterpene lactones ofFerula olgae

Ferula penninervis

1 reference

stated in

Sesquiterpene lactones ofFerula olgae

Ferula transiliensis

1 reference

stated in

Sesquiterpene lactones from Talassia transiliensis

Identifiers

InChI

InChI=1S/C24H30O7/c1-8-12(4)22(27)31-24(7)19-16(29-21(26)11(2)3)10-14(6)17-15(25)9-13(5)18(17)20(19)30-23(24)28/h8-9,11,16,18-20H,10H2,1-7H3/b12-8-/t16-,18-,19-,20+,24+/m1/s1

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InChIKey

AMJJANYYVNEPRW-QVYQCVQUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AMJJANYYVNEPRW-QVYQCVQUSA-N

(Q104914667)

[(3S,3aR,4R,9aR,9bS)-3,6,9-trimethyl-4-(2-methylpropanoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] (Z)-2-methylbut-2-enoate

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