(Q104974413)

English

(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-dimethylene-8beta,9beta-epoxy-9-methyl-4alpha-[(E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methyl-2-butenoyloxy]methyl]-2-butenoyloxy]azuleno[4,5-b]furan-2(3H)-one

chemical compound

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instance of

type of chemical entity

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subclass of

(14-Methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) 4-hydroxy-2-[(4-hydroxy-2-methylbut-2-enoyl)oxymethyl]but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

474.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₉

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canonical SMILES

O=C(OCC(=CCO)C(=O)OC1CC(=C)C2CC3OC3(C)C2C4OC(=O)C(=C)C14)C(=CCO)C

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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@H]1O[C@@]21C

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found in taxon

Brickellia californica

1 reference

stated in

Guaianolides and labdanes from Brickellia species

Carphochaete pringlei

1 reference

stated in

A cyclopropanoheliangolide and guaianolides from cronquistia pringlei

Identifiers

InChI

InChI=1S/C25H30O9/c1-12(5-7-26)22(28)31-11-15(6-8-27)24(30)32-17-9-13(2)16-10-18-25(4,34-18)20(16)21-19(17)14(3)23(29)33-21/h5-6,16-21,26-27H,2-3,7-11H2,1,4H3/b12-5+,15-6+/t16-,17+,18+,19+,20-,21-,25+/m0/s1

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InChIKey

DBIHKYLIDCOVHG-IGKGSIDBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBIHKYLIDCOVHG-IGKGSIDBSA-N

1 reference

(Q104974413)

(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-dimethylene-8beta,9beta-epoxy-9-methyl-4alpha-[(E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methyl-2-butenoyloxy]methyl]-2-butenoyloxy]azuleno[4,5-b]furan-2(3H)-one

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