(Q105242310)

English

[(3aS,4R,6R,6aS,7S,9aR,9bS)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

454.139445504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₂H₂₇ClO₈

0 references

canonical SMILES

O=C(OC1CC(O)(CCl)C2C(OC(=O)C)C=C(C)C2C3OC(=O)C(=C)C13)C(=CCO)C

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isomeric SMILES

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

NEW SESQUITERPENE LACTONES FROMEUPATORIUM CHINENSEVAR.SIMPLICIFOLIUM(MAKINO) KITAM.

Eupatorium lindleyanum

1 reference

stated in

Cytotoxic sesquiterpene lactones from Eupatorium lindleyanum

Identifiers

InChI

InChI=1S/C22H27ClO8/c1-10(5-6-24)20(26)30-15-8-22(28,9-23)18-14(29-13(4)25)7-11(2)16(18)19-17(15)12(3)21(27)31-19/h5,7,14-19,24,28H,3,6,8-9H2,1-2,4H3/b10-5+/t14-,15+,16-,17-,18+,19-,22-/m0/s1

0 references

InChIKey

ROLUXMBDEQQZQJ-GHIXAKBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROLUXMBDEQQZQJ-GHIXAKBRSA-N

(Q105242310)

[(3aS,4R,6R,6aS,7S,9aR,9bS)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

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