(2E)-5-[(3S,4S,4Ar,6As,12Bs,12Cs)-3-Hydroxy-4,12C-Dimethyl-9,10-Bis(3-Methyl-2-Buten-1-Yl)-1,2,3,4,4A,5,6,6A,7,12,12B,12C-Dodecahydrobenzo[6,7]Indeno[1,2-B]Indol-4-Yl]-2-Methyl-2-Pentenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C37H39NO3
IUPAC Name (2e)-5-[(3s,4s,4ar,6as,12bs,12cs)-3-hydroxy-4,12c-dimethyl-9,10-bis(3-methyl-2-buten-1-yl)-1,2,3,4,4a,5,6,6a,7,12,12b,12c-dodecahydrobenzo[6,7]indeno[1,2-b]indol-4-yl]-2-methyl-2-pentenoic acid
Molecular Mass 545.710 g·mol−1
Heat of Formation -567.5 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 732.13 Å 3
Surface Area 587.15 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
InChIKey MZNVFBWGMTXXDI-RDUGODHGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N