(Q104913043)

English

[(3S,3aR,4S,6R,6aR,9bS)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-3a,4,5,6a,7,9b-hexahydro-3H-azuleno[4,5-b]furan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

6-hydroxy-3,6,9-trimethyl-2,8-dioxo-3H,3aH,4H,5H,6aH,7H,9bH-azuleno[4,5-b]furan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2C(=C(C(=O)C2)C)C3OC(=O)C(C)C31)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC(=O)C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12

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found in taxon

Eriocephalus giessii

1 reference

stated in

Sesquiterpene lactones and other constituents from Eriocephalus species

Identifiers

InChI

InChI=1S/C17H22O6/c1-7-11(19)5-10-13(7)15-14(8(2)16(20)23-15)12(22-9(3)18)6-17(10,4)21/h8,10,12,14-15,21H,5-6H2,1-4H3/t8-,10+,12-,14+,15+,17+/m0/s1

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InChIKey

AIYRJNOLOMUWJR-PDRDROHZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AIYRJNOLOMUWJR-PDRDROHZSA-N

(Q104913043)

[(3S,3aR,4S,6R,6aR,9bS)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-3a,4,5,6a,7,9b-hexahydro-3H-azuleno[4,5-b]furan-4-yl] acetate

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