(Q105263786)

English

[(3R,3aS,4R,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[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

(9-Hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.146723804 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,4R,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

(3R)-3abeta,4,5,9,9abeta,9balpha-Hexahydro-3alpha,6,9-trimethyl-9beta-hydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

0 references

canonical SMILES

O=C(OC1CC(=C2C=CC(O)(C)C2C3OC(=O)C(C)C13)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1CC(C)=C2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]21

0 references

found in taxon

Stevia serrata

1 reference

stated in

Prochamazulene sesquiterpene lactones from Stevia serrata

Identifiers

InChI

InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14+,15+,17-/m1/s1

0 references

InChIKey

SYTRJRUSWMMZLV-YLGNKLDISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SYTRJRUSWMMZLV-YLGNKLDISA-N

(Q105263786)

[(3R,3aS,4R,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate

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