(Q105153407)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C(OC1CC(O)C2(C)C(O)C3C(=C)C(=O)OC3C(OC(=O)C)C(C)C12)C(=CC)C

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isomeric SMILES

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

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found in taxon

Gaillardia coahuilensis

1 reference

stated in

Pseudoguaianolides and sesquiterpene glucoside from Gaillardia coahuilensis

Identifiers

InChI

InChI=1S/C22H30O8/c1-7-9(2)20(26)29-13-8-14(24)22(6)16(13)11(4)17(28-12(5)23)18-15(19(22)25)10(3)21(27)30-18/h7,11,13-19,24-25H,3,8H2,1-2,4-6H3/b9-7-/t11-,13-,14+,15+,16+,17+,18+,19+,22+/m0/s1

0 references

InChIKey

LLCAOOIKCKWJRE-GKSZCFFYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LLCAOOIKCKWJRE-GKSZCFFYSA-N

(Q105153407)

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

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