Bovatec

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Properties Simple | Detailed

Formula C34H54O8
IUPAC Name 6-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
Molecular Mass 590.788 g·mol−1
Heat of Formation -1838.2 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 772.13 Å 3
Surface Area 546.34 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2r-(2alpha(2s*(3r*,4s*,5s*,7r*)3s*,5s*),5alpha,6beta))-6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-3-methylsalicylic acid
  • 2,3-cresotic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-, (-)-
  • 25999-20-6 (sodium salt)
  • 6-(7(r)-(5(s)-ethyl-5-(5(r)-ethyltetrahydro-5-hydroxy-6(s)-methyl-2h-pyran-2(r)-yl)tetrahydro-3(s)-methyl-2(s)-furyl)-4(s)-hydroxy-3(r),5(s)-dimethyl-6-oxononyl)-2,3-cresotic acid
  • 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methylbenzoic acid (2r-(2alpha(2s*(3r*,4s*,5s*,7r*),3s*,5s*),5alpha,6beta))-
  • 6-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyl-2-tetrahydropyranyl]-3-methyl-2-tetrahydrofuranyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
  • 6-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • 6-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • 6-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-6-keto-3,5-dimethyl-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • 6-{7-[(5s)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methylperhydro-2h-pyran-2-yl)-5-ethyl-3-methyloxolan-2-yl](4s,5s,3r,7r)-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoic acid
  • acon0_000529
  • acon1_002071
  • antibiotic x 537a
  • benzoic acid, 6-((3r,4s,5s,7r)-7-((2s,3s,5s)-5-ethyl-5-((2r,5r,6s)-5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-
  • benzoic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)tetrahydro-3-methyl-2-furanyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-, (2r-(2alpha(2s*(3r*,4s*,5s*,7r*),3s*,5s*),5alpha,6beta))-
  • bpbio1_000831
  • d04671
  • ionophore x 537a
  • lasalocid
  • lasalocid (usan)
  • lasalocide
  • lasalocide a
  • megxm0_000441
  • x 537a
CAS Number(s)
  • 107684-72-0
  • 25999-31-9
  • 26934-10-1
  • 37213-87-9
  • 37259-88-4
InChIKey BBMULGJBVDDDNI-OWKLGTHSSA-N
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