(1S,9S)-1,5:6,9-Dianhydro-9-[(3R,5S,6S,7R)-9-(6-Bromo-2-Carboxy-3-Hydroxy-4-Methylphenyl)-6-Hydroxy-5,7-Dimethyl-4-Oxononan-3-Yl]-3,4,7,8-Tetradeoxy-6-Ethyl-2-C-Ethyl-1,8-Dimethyl-D-Galacto-Nonitol

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Properties Simple | Detailed

Formula C34H53BrO8
IUPAC Name 3-bromo-2-[(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]-3,5-di(methyl)-4-oxido-6-oxo-nonyl]-5-methyl-6-oxido-benzene-4-ide-1-carboxylate
Molecular Mass 669.684 g·mol−1
Heat of Formation 56.0 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 779.23 Å 3
Surface Area 529.38 Å 2
Point Group Symmetry C1
Synonyms
  • 3-bromo-2-[(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]-6-hydroxy-5-methylbenzoic acid
  • 3-bromo-2-[(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]-6-hydroxy-5-methyl-benzoic acid
  • 3-bromo-2-[(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]-6-hydroxy-5-methyl-benzoic acid
  • 3-bromo-2-[(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]-6-hydroxy-5-methyl-benzoic acid
  • 3-bromo-2-[(3r,4s,5s,7r)-7-[(2s,3s,5s)-5-ethyl-5-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenzoic acid
  • benzoic acid, 3-bromo-2-(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)-6-hydroxy-5-methyl-, (2r-(2alpha(2s*(3r*,4s*,5s*,7r*),3s*,5s*),5alpha,6beta))-
  • br-x 537a
  • bromolasalocid
  • brx 537a
  • ro 20-0006
CAS Number(s)
  • 38784-08-6
InChIKey RSSZDVNBQCABNN-DQBJLQAUSA-N
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