(2E)-3-[(2S,3As,3Br,5As,11Ar,12S,14R,15Bs,15Cs,17As)-12,17A-Dihydroxy-14-Isopropenyl-3A,9,9,11,11,15B,15C-Heptamethyl-3,3A,3B,4,5,5A,6,9,11,11A,12,13,14,15B,15C,16,17,17A-Octadecahydro-2H-[1]Benzofuro[4',5':6,7]Indeno[1,2-B]Pyrano[3',4':4,5]Cyclopenta[1,2-F]Pyrrolo[3,2,1-Hi]Indol-2-Yl]-2-Methylacrylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C43H55NO6 |
| IUPAC Name | (2e)-3-[(2s,3as,3br,5as,11ar,12s,14r,15bs,15cs,17as)-12,17a-dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2h-[1]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-2-methylacrylic acid |
| Molecular Mass | 681.900 g·mol−1 |
| Heat of Formation | -949.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.87 ± 1.08 D |
| Volume | 841.7 Å 3 |
| Surface Area | 611.7 Å 2 |
| HOMO Energy | -8.04 ± 0.55 eV |
| LUMO Energy | -0.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PLSGFSOLCKJLJQ-KHJKSYPCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |