(Q104988286)

English

[(3aR,4R,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(9-Hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 4-hydroxy-2-[2-(hydroxymethyl)but-2-enoyloxymethyl]but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

474.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aS,9S,9aS,9bR)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₉

0 references

canonical SMILES

O=C(OCC(=CCO)C(=O)OC1CC(=C)C2C=CC(O)(C)C2C3OC(=O)C(=C)C13)C(=CC)CO

0 references

isomeric SMILES

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

0 references

found in taxon

Hymenopappus newberryi

1 reference

stated in

Guaianolides and heliangolides from Hymenopappus newberryi

Identifiers

InChI

InChI=1S/C25H30O9/c1-5-15(11-27)23(29)32-12-16(7-9-26)24(30)33-18-10-13(2)17-6-8-25(4,31)20(17)21-19(18)14(3)22(28)34-21/h5-8,17-21,26-27,31H,2-3,9-12H2,1,4H3/b15-5+,16-7+/t17-,18+,19+,20-,21-,25+/m0/s1

0 references

InChIKey

DTFKKMLQFZDQAO-QBRJZALASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTFKKMLQFZDQAO-QBRJZALASA-N

(Q104988286)

[(3aR,4R,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

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Identifiers

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