(Q104252430)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₅

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canonical SMILES

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

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isomeric SMILES

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

0 references

Xanthium spinosum

1 reference

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

Xanthium strumarium

2 references

Xanthanolides from Xanthium strumarium

Sesquiterpene lactones of Xanthium species. Xanthanol and isoxanthanol, and correlation of xanthinin with ivalbin

Identifiers

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

0 references

IQAWVYINTAIBSH-QKAHUKPJSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Sitelinks

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