(2S,3E,5S,7S,8S,10R,13S)-2,13-Diacetoxy-7,10-Dihydroxy-8,12,15,15-Tetramethyl-9-Oxotricyclo[9.3.1.1~4,8~]Hexadeca-3,11-Dien-5-Yl (2R,3S)-3-(Dimethylamino)-2-Hydroxy-3-Phenylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H49NO10
IUPAC Name (1r,2s,3e,5s,7s,8s,10r,13s)-2,13-diacetoxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1 4,8 ]hexadeca-3,11-dien-5-yl (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Molecular Mass 643.764 g·mol−1
Heat of Formation -1663.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 763.63 Å 3
Surface Area 533.54 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey KOTXAHKUCAQPQA-BURAOFGFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N