(Q105375262)

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] 2-methylprop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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guaiane sesquiterpenoid

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388.152203108 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₇

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canonical SMILES

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

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isomeric SMILES

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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1 reference

Sesquiterpene lactones ofFerula olgae

Ferula penninervis

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Sesquiterpene lactones ofFerula olgae

Identifiers

InChI=1S/C21H24O7/c1-9(2)19(24)26-14-8-11(4)15-13(23)7-10(3)16(15)18-17(14)21(6,20(25)27-18)28-12(5)22/h7,14,16-18H,1,8H2,2-6H3/t14-,16+,17+,18-,21-/m0/s1

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ZGKAPILEDVFISS-YTBPQBKGSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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