(1S)-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-[(2R,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyltetrahydrofuran-2-Yl]Pent-4-En-1-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C30H51BrO6
IUPAC Name (1s)-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)-2-methyl-5-(1-methyl-1-oxido-ethyl)tetrahydrofuran-2-yl]pent-4-en-1-olate
Molecular Mass 587.626 g·mol−1
Heat of Formation -1416.2 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 706.7 Å 3
Surface Area 529.38 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 3.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyl-2-tetrahydropyranyl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2h-pyrano[5,6-b]pyran-2-yl]-1-[(2r,5r)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]pent-4-en-1-ol
  • (1s)-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-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyl-oxolan-2-yl]pent-4-en-1-ol
  • (1s)-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-[(2r,5r)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]pent-4-en-1-ol
  • (1s)-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-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol
  • 2-[(2r,5r)-5-[(1s)-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-hydroxy-pent-4-enyl]-5-methyl-tetrahydrofuran-2-yl]propan-2-ol
InChIKey ZAFALSYXVNIPJK-LGGVQCJHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br