(1R,9R,10R,12R)-1-Hydroxy-3,5-Dimethoxy-9-(4-Methoxyphenyl)-11-({(2S)-2-[(2-Methylbutanoyl)Amino]-1-Pyrrolidinyl}Carbonyl)-10-Phenyl-8-Oxatricyclo[7.2.1.0~2,7~]Dodeca-2,4,6-Trien-12-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C38H69N2O9
IUPAC Name carbon; ethanone; ethyl-[[(1-hydroxy-2-methylene-butyl)amino]methyl]-[(z)-1-hydroxy-3-phenyl-prop-1-enyl]ammonium; hydron; λ1-carbane; 5-methoxycyclohex-4-ene-1,3-dione; (e,3r)-1-methoxyhept-1-en-6-yn-3-ol; hydrate
Molecular Mass 707.034 g·mol−1
Heat of Formation 2752.2 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 754.03 Å 3
Surface Area 564.08 Å 2
HOMO Energy -6.86 ± 0.55 eV
LUMO Energy -3.59 ± eV
Point Group Symmetry C1
InChIKey HCNJABPCRMQADU-VRFNKKFKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N