(Q105379381)

English

[(1R,3aR,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydroxy-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(8,9-dihydroxy-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-6-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

324.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄O₆

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canonical SMILES

O=C(OC1CC(O)(C)C2C(O)C3C(OC(=O)C3C)CC(=C)C12)C

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isomeric SMILES

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

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found in taxon

Arnica angustifolia

1 reference

stated in

Sesquiterpene lactones and inositol esters from Arnica angustifolia

Identifiers

InChI

InChI=1S/C17H24O6/c1-7-5-10-13(8(2)16(20)23-10)15(19)14-12(7)11(22-9(3)18)6-17(14,4)21/h8,10-15,19,21H,1,5-6H2,2-4H3/t8-,10-,11+,12+,13-,14+,15+,17-/m1/s1

0 references

InChIKey

ZMECTFPMBYIGFY-IWUMOOBJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMECTFPMBYIGFY-IWUMOOBJSA-N

(Q105379381)

[(1R,3aR,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydroxy-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-6-yl] acetate

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