2-{(2R,5R)-5-[(1S,4S)-4-{(2R,4Ar,6R,8As)-6-[(2S,5R)-5-Bromo-2,6,6-Trimethyltetrahydro-2H-Pyran-2-Yl]-8A-Methyloctahydropyrano[3,2-B]Pyran-2-Yl}-1,4-Dihydroxypentyl]-5-Methyltetrahydro-2-Furanyl}-2-Propanyl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C32H55BrO8
IUPAC Name (1s,4s)-4-[(2r,4as,6r,8ar)-2-[(2s,5r)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2h-pyrano[3,2-b]pyran-6-yl]-1-[(2r,5r)-5-(1-acetyloxy-1-methyl-ethyl)-2-methyl-3h-furan-5-id-2-yl]pentane-1,4-diolate
Molecular Mass 647.678 g·mol−1
Heat of Formation 2255.5 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 720.32 Å 3
Surface Area 552.89 Å 2
Point Group Symmetry C1
Synonyms
  • (2s-(2alpha(r*(s*(2s*,5s*))),4abeta,6alpha(2s*,5r*),8aalpha))-alpha5-(3-(6-(5-bromotetrahydro-2,6,6-trimethyl-2h-pyran-2-yl)octahydro-8a-methylpyrano(3,2-b)pyran-2-yl)-3-hydroxybutyl)tetrahydro alpha2,alpha2,5-trimethyl-2,5-furandimethanol alpha2-acetate
  • 2,5-furandimethanol, alpha5-(3-(6-(5-bromotetrahydro-2,6,6-trimethyl-2h-pyran-2-yl)octahydro-8a-methylpyrano(3,2-b)pyran-2-yl)-3-hydroxybutyl)tetrahydro alpha2,alpha2,5-trimethyl-, alpha2-acetate, (2s-(2alpha(r*(s*(2s*,5s*))),4abeta,6alpha(2s*,5r*),8aalpha))-
  • 2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyl-oxan-2-yl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2h-pyrano[5,6-b]pyran-2-yl]-1,4-dihydroxy-pentyl]-5-methyl-oxolan-2-yl]propan-2-yl ethanoate
  • 2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2h-pyrano[5,6-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
  • [1-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2h-pyrano[5,6-b]pyran-2-yl]-1,4-dihydroxy-pentyl]-5-methyl-tetrahydrofuran-2-yl]-1-methyl-ethyl] acetate
  • acetic acid [1-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2h-pyrano[5,6-b]pyran-2-yl]-1,4-dihydroxy-pentyl]-5-methyl-tetrahydrofuran-2-yl]-1-methyl-ethyl] ester
  • tf23a
CAS Number(s)
  • 96304-95-9
InChIKey CFIPFJIKZAGWFH-WMYXADBDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br