(4As,4Bs,6Ar,9As,9Bs)-7-Ethynyl-7-Hydroxy-4A,6A-Dimethyl-4,4A,4B,6,6A,7,8,9,9A,9B,10,11-Dodecahydrobenzo[H]Cyclopenta[C]Chromen-2(3H)-One
Properties
Property | Value |
---|---|
Formula | C20H26O3 |
IUPAC Name | 7-ethynyl-7-hydroxy-4a,6a-dimethyl-4,4a,4b,6,6a,7,8,9,9a,9b,10,11-dodecahydrobenzo[h]cyclopenta[c]chromen-2(3h)-one |
Molecular Mass | 314.419 g·mol−1 |
Heat of Formation | -360.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.59 ± 1.08 D |
Volume | 339.08 Å 3 |
Surface Area | 273.12 Å 2 |
HOMO Energy | -9.74 ± 0.55 eV |
LUMO Energy | -0.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZPNQMHXTVUJDII-RPZLJYRGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |