(Q105258442)

English

[(3aS,5R,6R,6aR,9S,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-2-Methyl-2-butenoic acid [(3aS)-2-oxo-3-methylene-6beta,6abeta,9beta-trihydroxy-6,9-dimethyl-2,3,3abeta,4,5,6,6a,9,9abeta,9balpha-decahydroazuleno[4,5-b]furan]-5beta-yl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1CC2C(=C)C(=O)OC2C3C(O)(C=CC3(O)C1(O)C)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@@]1(O)C=C[C@](C)(O)[C@H]21

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found in taxon

Ajania fruticulosa

1 reference

stated in

Antifungal highly oxygenated guaianolides and other constituents from Ajania fruticulosa

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-10(2)16(21)26-13-9-12-11(3)17(22)27-14(12)15-18(4,23)7-8-20(15,25)19(13,5)24/h6-8,12-15,23-25H,3,9H2,1-2,4-5H3/b10-6-/t12-,13+,14-,15-,18-,19+,20+/m0/s1

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InChIKey

SQRSEJMUWJOLCL-IDFGEMQRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105258442)

[(3aS,5R,6R,6aR,9S,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate

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