(1R,2S,3R,14β,17β)-17-[(2R)-6-Hydroxy-6-Methyl-2-Heptanyl]-2-Methyl-9,10-Secoestra-4,8-Dien-6-Yne-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C27H42O3 |
IUPAC Name | (1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol |
Molecular Mass | 414.621 g·mol−1 |
Heat of Formation | -584.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.53 ± 1.08 D |
Volume | 562.96 Å 3 |
Surface Area | 470.61 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 2.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | YCBJWNMIMDLOPD-ADFBMCJESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |