(1S,4R,5R,6R,6As,9S,9Ae,10Ar)-3-Isopropyl-9-(Methoxymethyl)-6,10A-Dimethyl-1,2,4,5,6,6A,7,8,9,10A-Decahydrodicyclopenta[A,D][8]Annulene-1,4,5-Triol
Properties
Property | Value |
---|---|
Formula | C21H34O4 |
IUPAC Name | (1s,4r,5r,6r,6as,9s,9ae,10ar)-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulene-1,4,5-triol |
Molecular Mass | 350.492 g·mol−1 |
Heat of Formation | -829.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.21 ± 1.08 D |
Volume | 450.94 Å 3 |
Surface Area | 343.54 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 0.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | YZZBBYUVOSVRJT-KFPAJSSTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |