4-[(1R,3As,3Br,5As,6Ar,7As,9S,11R,11As,12Ar,13Ar,13Bs,15Ar)-3A,11,11A-Trihydroxy-9,13A-Bis(Hydroxymethyl)-15A-Methylicosahydro-1H,7Ah-Cyclopenta[7,8]Phenanthro[2,3-B]Pyrano[3,2-E][1,4]Dioxin-1-Yl]-2(5H)-Furanone
Properties
| Property | Value |
|---|---|
| Formula | C29H42O10 |
| IUPAC Name | 4-[(1r,3as,3br,5as,6ar,7as,9s,11r,11as,12ar,13ar,13bs,15ar)-3a,11,11a-trihydroxy-9,13a-bis(hydroxymethyl)-15a-methylicosahydro-1h,7ah-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-2(5h)-furanone |
| Molecular Mass | 550.638 g·mol−1 |
| Heat of Formation | -1905.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.60 ± 1.08 D |
| Volume | 631.71 Å 3 |
| Surface Area | 479.85 Å 2 |
| HOMO Energy | -9.88 ± 0.55 eV |
| LUMO Energy | -0.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HIFCBBCVEWARQA-KQERWQABSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |