(Q105289717)

English

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

chemical compound

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type of chemical entity

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subclass of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C(OC1CC2(OC2)C3C(OC(=O)C)C=C(C)C3C4OC(=O)C(=C)C14)C(=CCO)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@H](OC(C)=O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12

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found in taxon

Eupatorium chinense

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C22H26O8/c1-10(5-6-23)20(25)29-15-8-22(9-27-22)18-14(28-13(4)24)7-11(2)16(18)19-17(15)12(3)21(26)30-19/h5,7,14-19,23H,3,6,8-9H2,1-2,4H3/b10-5-/t14-,15+,16-,17+,18+,19+,22-/m0/s1

0 references

InChIKey

VNLQAVAJZIGXMH-XRNGNQAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VNLQAVAJZIGXMH-XRNGNQAJSA-N

(Q105289717)

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

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