(Q105174762)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

guaiane sesquiterpenoid

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mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=C(OC1CC(=C2C(=O)C=C(C)C2C3OC(=O)C(OC(=O)C)(C)C13)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12

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found in taxon

Ferula olgae

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stated in

Sesquiterpene lactones ofFerula olgae

Ferula penninervis

1 reference

stated in

Sesquiterpene lactones ofFerula olgae

Identifiers

InChI

InChI=1S/C22H26O7/c1-7-10(2)20(25)27-15-9-12(4)16-14(24)8-11(3)17(16)19-18(15)22(6,21(26)28-19)29-13(5)23/h7-8,15,17-19H,9H2,1-6H3/b10-7-/t15-,17+,18+,19-,22-/m0/s1

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InChIKey

MYBBEYDOCCGANV-SIMFFBRTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MYBBEYDOCCGANV-SIMFFBRTSA-N

(Q105174762)

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

Statements

Identifiers

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