(3R,4S,5S,6R,8E,10E)-12-Amino-4-Hydroxy-3,5-Dimethyl-12-Oxo-8,10-Dodecadien-6-Yl (2E)-3-Phenylacrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H31NO4
IUPAC Name [(1r,3e,5e)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-oxo-hepta-3,5-dienyl] (e)-3-phenylprop-2-enoate
Molecular Mass 385.497 g·mol−1
Heat of Formation -643.1 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 503.14 Å 3
Surface Area 448.99 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1r,3e,5e)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-keto-hepta-3,5-dienyl] ester
  • (e)-3-phenylprop-2-enoic acid [(1r,3e,5e)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethylpentyl]-7-oxohepta-3,5-dienyl] ester
  • [(1r,3e,5e)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-oxo-hepta-3,5-dienyl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5s,6r,8e,10e)-12-amino-4-hydroxy-3,5-dimethyl-12-oxo-dodeca-8,10-dien-6-yl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5s,6r,8e,10e)-12-amino-4-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-6-yl] (e)-3-phenylprop-2-enoate
  • basiliskamide b
InChIKey HCZNVGHFFHRIFM-XXVMQOJQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N