(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-Trihydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27,29-Tetraoxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1~4,7~.0~5,28~]Triaconta-1(28),2,4,9,19,21,25-Heptaen-13-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C37H45NO12
IUPAC Name (7s,9z,11s,12r,13s,14r,15r,16r,17s,18s,19z,21z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1 4,7 .0 5,28 ]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate
Molecular Mass 695.753 g·mol−1
Heat of Formation -2005.3 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 811.56 Å 3
Surface Area 516.9 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey BTVYFIMKUHNOBZ-WURVRSKISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N