(Q105153270)

English

[(3aR,4R,5aS,6S,8R,8aS,9R,9aS)-9-acetyloxy-6,8-dihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(9-acetyloxy-6,8-dihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

368.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₄O₈

0 references

canonical SMILES

O=C1OC2C(OC(=O)C)CC3C(O)CC(O)C3(C)C(OC(=O)C)C2C1=C

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isomeric SMILES

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

0 references

found in taxon

Gaillardia pulchella

1 reference

stated in

Structure-Activity Relationships of Pseudoguaianolides Isolated from Gaillardia pulchella and Their Derivatives

Identifiers

InChI

InChI=1S/C18H24O8/c1-7-14-15(26-17(7)23)12(24-8(2)19)5-10-11(21)6-13(22)18(10,4)16(14)25-9(3)20/h10-16,21-22H,1,5-6H2,2-4H3/t10-,11+,12-,13-,14-,15+,16-,18+/m1/s1

0 references

InChIKey

LKSYWMYIMNIGES-BXVGOGIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKSYWMYIMNIGES-BXVGOGIESA-N

(Q105153270)

[(3aR,4R,5aS,6S,8R,8aS,9R,9aS)-9-acetyloxy-6,8-dihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-4-yl] acetate

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Identifiers

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