(Q104952104)

English

(4aS,7R,8R,8aS)-8-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-4-(2-methylbut-2-enoyloxymethyl)-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₇

0 references

canonical SMILES

O=C1OC(O)C(=C1)CCC2(C)C(C)CCC3(C(=O)O)C(=CCCC32)COC(=O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O

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found in taxon

Solidago virgaurea

1 reference

stated in

Antibacterial clerodane diterpenes from Goldenrod (Solidago virgaurea).

Identifiers

InChI

InChI=1S/C25H34O7/c1-5-15(2)21(27)31-14-18-7-6-8-19-24(4,11-10-17-13-20(26)32-22(17)28)16(3)9-12-25(18,19)23(29)30/h5,7,13,16,19,22,28H,6,8-12,14H2,1-4H3,(H,29,30)/b15-5-/t16-,19+,22-,24-,25-/m1/s1

0 references

InChIKey

CAZJARHTQMIAOX-KGQISJQYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104952104)

(4aS,7R,8R,8aS)-8-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

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Identifiers

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