(Q105352175)

English

[(3aR,4S,6aS,9R,9aS,9bS)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

336.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6aR,9S,9aS,9bS)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₇

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C)CC(=C)C3(OO)C=CC(O)(C)C23

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3[C@@](OO)(C=C[C@@]3(C)O)C(=C)C[C@H](OC(C)=O)[C@@H]12

0 references

found in taxon

Bishopanthus soliceps

1 reference

stated in

Highly oxygenated guaianolides from Bishopanthus soliceps

Identifiers

InChI

InChI=1S/C17H20O7/c1-8-7-11(22-10(3)18)12-9(2)15(19)23-13(12)14-16(4,20)5-6-17(8,14)24-21/h5-6,11-14,20-21H,1-2,7H2,3-4H3/t11-,12+,13-,14-,16+,17+/m0/s1

0 references

InChIKey

YQEIZFUUAYCBQU-FGKYSUEKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQEIZFUUAYCBQU-FGKYSUEKSA-N

(Q105352175)

[(3aR,4S,6aS,9R,9aS,9bS)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

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Identifiers

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