4-[(1R,3As,3Br,5As,6Ar,7As,9R,11R,11As,12Ar,13Ar,13Bs,15R,15As)-3A,11,11A,15-Tetrahydroxy-13A-(Hydroxymethyl)-9,15A-Dimethylicosahydro-1H,7Ah-Cyclopenta[7,8]Phenanthro[2,3-B]Pyrano[3,2-E][1,4]Dioxin-1-Yl]-2(5H)-Furanone

Molecule SVG Image

Properties Simple | Detailed

Formula C29H38O10
IUPAC Name 4-[(1r,3as,3br,5as,6ar,7as,9r,11r,11as,12ar,13ar,13bs,15r,15as)-3a,11,11a,15-tetrahydroxy-13a-(hydroxymethyl)-9,15a-dimethylicosahydro-1h,7ah-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-2(5h)-furanone
Molecular Mass 546.606 g·mol−1
Heat of Formation -1923.8 ± 16.7 kJ·mol−1
Dipole Moment 10.97 ± 1.08 D
Volume 629.87 Å 3
Surface Area 475.6 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey RGJSIZOZMBPAIL-YUVWTAJSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O