(1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Ethoxy-1,18-Dihydroxy-12-[(2R)-1-(4-Hydroxy-3-Methoxyphenyl)-2-Propanyl]-19-Methoxy-15,17,21,23,29,35-Hexamethyl-11,36-Dioxa-4-Azatricyclo[30.3.1.0~4,9~]Hexatriaconta-24,26,28-Triene-2,3,10,14,20-Pentone

Molecule SVG Image

Properties Simple | Detailed

Formula C52H77NO13
IUPAC Name (1r,9s,12s,15r,18r,19r,21r,23s,24z,26e,28e,30s,32s,35r)-30-ethoxy-1,18-dihydroxy-12-[(2r)-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0 4,9 ]hexatriaconta-24,26,28-triene-2,3,10,14,20-pentone
Molecular Mass 924.167 g·mol−1
Heat of Formation -2494.7 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 1167.27 Å 3
Surface Area 740.46 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey LMDKAEWBVKHXMN-WSWLDWGASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N