A-Yl Decanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H52O8
IUPAC Name a-yl decanoate
Molecular Mass 600.783 g·mol−1
Heat of Formation -1549.2 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 759.62 Å 3
Surface Area 606.88 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2e)-2-methylbut-2-enoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-decanoate 9-(2-methylcrotonate)
  • phorbol 12-tiglate 13-decanoate
  • phorbol 12-tiglate 13-decanonate
  • phorbol 13-decanoate 12-tiglate
  • phorbol caprate, tiglate
  • phorbol monodecanoate mono(2-methylcrotonate), (e)-
CAS Number(s)
  • 59086-92-9
InChIKey QWYNFKKVBDGBLL-KFWZAFQTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O