(Q104998684)

English

Hiyodorilactone B

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[(3aR,4R,6E,9S,10E)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

1 reference

1 reference

(3aS,11aS)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6E,9R,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[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,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6E,9R,10E,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,9S,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate

1 reference

1 reference

[(3aR,4R,6Z,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1CC(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)C

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isomeric SMILES

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

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found in taxon

Hymenopappus newberryi

1 reference

stated in

Guaianolides and heliangolides from Hymenopappus newberryi

Schkuhria pinnata

1 reference

stated in

Schkuhripinnatolides, unusual sesquiterpene lactones from Schkuhria pinnata

Eupatorium lindleyanum

1 reference

stated in

Analysis of sesquiterpene lactones in Eupatorium lindleyanum by HPLC-PDA-ESI-MS/MS.

Identifiers

InChI

InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8-,14-11-/t17-,18+,19+,20+/m0/s1

0 references

InChIKey

FOCCASNSHDSZLN-BYYRXAEQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104998684)

Hiyodorilactone B

Statements

Identifiers

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