(Q105130240)

English

[(1S,3S)-1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

alpha-Methylene-gamma-lactone, 3

1 reference

based on heuristic

inferred from SMILES

[1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

1 reference

based on heuristic

inferred from SMILES

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R)-1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3S)-1-[(3aS,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3R)-1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3S)-1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

1 reference

based on heuristic

inferred from InChI

[(1S,3S)-1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₅

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canonical SMILES

O=C1OC2CC(C(=CCC2C1=C)C(OC(=O)C)CC(O)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@H](C)C([C@H](C[C@H](C)O)OC(C)=O)=CC[C@H]12

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Pulicaria undulata

2 references

Sesquiterpenes from an Egyptian herbal medicine, Pulicaria undulate, with inhibitory effects on nitric oxide production in RAW264.7 macrophage cells.

Sesquiterpenes from an Egyptian herbal medicine, Pulicaria undulate, with inhibitory effects on nitric oxide production in RAW264.7 macrophage cells.

Xanthium spinosum

1 reference

Xanthanolides from Xanthium: Absolute configuration of xanthanol, isoxanthanol and their C-4 epimers

Identifiers

InChI=1S/C17H24O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9-10,14-16,18H,3,6-8H2,1-2,4H3/t9-,10-,14+,15-,16-/m0/s1

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JKIKMDJRHDXNEW-KVRZASPWSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Sitelinks

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