(Q105282608)

English

[(3aR,4R,6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-[(2R)-2-hydroxy-3-methylbutanoyl]oxybut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

478.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₉

0 references

canonical SMILES

O=C1OC2C=C(C)C(O)CC=C(C)CC(OC(=O)C(=CCOC(=O)C(O)C(C)C)CO)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/COC(=O)[C@H](O)C(C)C)CO)[C@@H]12

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found in taxon

Schkuhria pinnata

1 reference

stated in

Schkuhripinnatolides, unusual sesquiterpene lactones from Schkuhria pinnata

Identifiers

InChI

InChI=1S/C25H34O9/c1-13(2)22(28)25(31)32-9-8-17(12-26)24(30)34-19-10-14(3)6-7-18(27)15(4)11-20-21(19)16(5)23(29)33-20/h6,8,11,13,18-22,26-28H,5,7,9-10,12H2,1-4H3/b14-6+,15-11+,17-8+/t18-,19-,20-,21-,22-/m1/s1

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InChIKey

VABYOPAMRUWQJA-UDIRHOJPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VABYOPAMRUWQJA-UDIRHOJPSA-N

(Q105282608)

[(3aR,4R,6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-[(2R)-2-hydroxy-3-methylbutanoyl]oxybut-2-enoate

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Identifiers

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