(Q105288565)

English

[(E)-2-[[(3aR,4R,6E,9S,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

476.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₉

0 references

canonical SMILES

O=C(OCC(=CC)C(=O)OC1CC(=CCC(O)C(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)CO

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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/C)COC(=O)/C(=C/CO)CO)[C@@H]12

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found in taxon

Brickellia laciniata

1 reference

stated in

Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata

Identifiers

InChI

InChI=1S/C25H32O9/c1-5-17(13-32-24(30)18(12-27)8-9-26)25(31)34-20-10-14(2)6-7-19(28)15(3)11-21-22(20)16(4)23(29)33-21/h5-6,8,11,19-22,26-28H,4,7,9-10,12-13H2,1-3H3/b14-6+,15-11-,17-5+,18-8+/t19-,20+,21-,22+/m0/s1

0 references

InChIKey

VLPPPAAWUOUSCL-FKMZZXCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLPPPAAWUOUSCL-FKMZZXCKSA-N

(Q105288565)

[(E)-2-[[(3aR,4R,6E,9S,10Z,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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Identifiers

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