(Q105374796)

English

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6a-Hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

392.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₈

0 references

canonical SMILES

O=C(OC1CC(=C)C2(OO)CC=C(C)C2C3OC(=O)C(=C)C13)C(=CCO)CO

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21

0 references

found in taxon

Eupatorium chinense

2 references

stated in

Seven guaianolides from Eupatorium chinense

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C20H24O8/c1-10-4-6-20(28-25)11(2)8-14(26-19(24)13(9-22)5-7-21)15-12(3)18(23)27-17(15)16(10)20/h4-5,14-17,21-22,25H,2-3,6-9H2,1H3/b13-5+/t14-,15-,16-,17+,20-/m1/s1

0 references

InChIKey

ZFVASFTUEVIQJA-OIECKMMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFVASFTUEVIQJA-OIECKMMNSA-N

(Q105374796)

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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