(2α,5Beta,7Beta,9α,10Beta,13α)-4,7,9,10,13-Pentaacetoxy-5,20-Epoxytax-11-En-2-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C37H46O13
IUPAC Name [(1r,2r,3r,4s,7r,9s,10s,11r,12r,15s)-4,9,11,12,15-pentaacetoxy-10,14,16,16-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Mass 698.753 g·mol−1
Heat of Formation -2333.0 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 792.93 Å 3
Surface Area 523.41 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2ar-(2aalpha,4beta,4abeta,5alpha,6beta,9alpha,11beta,12alpha,12aalpha,12balpha))-3,4,4a,5,6,9,10,11,12,12a-decahydro-4a,8,13,13-tetramethyl-7,14-methano-1h-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,12,12b(2ah)-hexol 4,5,6,9,12b-pentaacetate 12-benzoate
  • 7,14-methano-1h-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,12,12b(2ah)-hexol, 3,4,4a,5,6,9,10,11,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12b-pentaacetate 12-benzoate, (2ar-(2aalpha,4beta,4abeta,5alpha,6beta,9alpha,11beta,12alpha,12aalpha,12balpha))-
InChIKey JHPBZGSKESVROC-IGIVFXLZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O