(1Ar,4Ar,4Bs,6As,7S,9As,9Br,11Ar)-6A-Ethyl-7-Ethynyl-7-Hydroxytetradecahydrocyclopenta[7,8]Phenanthro[1,10A-B]Oxiren-2(1Ah)-One
Properties
Property | Value |
---|---|
Formula | C21H28O3 |
IUPAC Name | (1ar,4ar,4bs,6as,7s,9as,9br,11ar)-6a-ethyl-7-ethynyl-7-hydroxytetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1ah)-one |
Molecular Mass | 328.445 g·mol−1 |
Heat of Formation | -319.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.68 ± 1.08 D |
Volume | 336.97 Å 3 |
Surface Area | 287.31 Å 2 |
HOMO Energy | -9.97 ± 0.55 eV |
LUMO Energy | 0.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | QAADEDKZKKRMIM-YDHMJDHUSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |