Thyrsiferol

Molecule SVG Image

Properties Simple | Detailed

Formula C30H53BrO7
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-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]pentane-1,4-diol
Molecular Mass 605.642 g·mol−1
Heat of Formation -1701.1 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 726.63 Å 3
Surface Area 533.43 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 3.45 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4s)-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]pentane-1,4-diol
  • (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-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyl-oxolan-2-yl]pentane-1,4-diol
  • (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-[(2r,5r)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]pentane-1,4-diol
  • (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-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol
InChIKey IFHPYSVGNHWKDY-JXHBSGSUSA-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