Products 197781-85-4

CAS 197781-85-4 appears in our catalog under these names: Bonducellpin D, Bonducellpin D, Bonducellpin D, 98.0%, 98.0%, Bonducellpin D, 98.0%. Offered by: GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 1 mg.

Bonducellpin D
GLPBio
  • size: 1mg
  • Variants: 1
from 2057.36
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Bonducellpin D
Biosynth
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
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Bonducellpin D, 98.0%, 98.0%
Chemat
  • size: 1mg
  • Variants: 1
from 4835.60
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Bonducellpin D, 98.0%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 1991.53
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Structural formula: {0} (CAS {1})

Bonducellpin D is a sesquiterpene lactone.

Source: ChEBI

Identity
Molecular formulaC22H28O7
Molecular weight404.5 g/mol
IUPAC name[(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate
InChIKeyWIKUZWCBCFNRHH-ZCQRYNMDSA-N
SMILESCC(=O)O[C@H]1[C@H]2[C@@H]3[C@H](CC4=C([C@H]3C(=O)O2)C=CO4)[C@@]5([C@@]1(C(CC[C@@H]5O)(C)C)O)C

Computed by PubChem (NCBI)

Synonyms: Bonducellpin D, orb1683054
Isomers (same molecular formula)
(2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol C22H28O7
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene C22H28O7
[(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] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
(9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-methylbut-2-enoate C22H28O7
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate C22H28O7
[(3aR,4R,6E,10E,11aR)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
[(1S,1'S,3'R,5S,6S,7S,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate C22H28O7
5-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-one C22H28O7
(S)-(3,4-dimethoxyphenyl)-[(3S,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol C22H28O7
(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 C22H28O7
(6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate C22H28O7
[(1S,2S,3S,5S,8R,9R,11S,13R,14S,15R)-13,14-dihydroxy-16,16-dimethyl-6-methylidene-7-oxo-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-3-yl] acetate C22H28O7