(Q105227764)

English

[(3aR,4R,6aR,7S,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aR,7R,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)CO)CC(=C)C3C(OC(=O)C)C=C(C)C23

0 references

isomeric SMILES

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

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C22H26O8/c1-10-7-16(29-22(27)14(9-24)5-6-23)19-12(3)21(26)30-20(19)18-11(2)8-15(17(10)18)28-13(4)25/h5,8,15-20,23-24H,1,3,6-7,9H2,2,4H3/b14-5+/t15-,16+,17+,18-,19+,20+/m0/s1

0 references

InChIKey

QTJHMWUKJJQOAY-UOFHURSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QTJHMWUKJJQOAY-UOFHURSLSA-N

(Q105227764)

[(3aR,4R,6aR,7S,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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