(Q105344612)

English

[(3aR,4R,6E,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-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-Acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(3aS,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(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-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,6E,9S,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[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

[(3aS,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] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,4R,6E,9S,10Z,11aS)-3a,4,5,8,9,11a-Hexahydro-4-[[(Z)-2-(hydroxymethyl)-4-hydroxy-2-butenoyl]oxy]-9-acetoxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

[(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] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(3aS,4R,6E,9S,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-(hydroxymethyl)but-2-enoate

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

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

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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\CO)CO)[C@@H]12

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found in taxon

Urolepis hecatantha

1 reference

stated in

Sesquiterpene lactones, a labdane and other constituents of Urolepis hecatantha and chromolaena arnottiana

Identifiers

InChI

InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7-/t17-,18+,19+,20+/m0/s1

0 references

InChIKey

XYPJAWWDSQFSQA-VMCYIVQPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105344612)

[(3aR,4R,6E,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-(hydroxymethyl)but-2-enoate

Statements

Identifiers

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