(1R,11R,12R,15R)-11-(1,3-Benzodioxol-5-Yl)-15-(Hydroxymethyl)-3-Methoxy-5,7,14-Trioxatetracyclo[10.2.1.0~2,10~.0~4,8~]Pentadeca-2(10),3,8-Trien-13-One
Properties
Property | Value |
---|---|
Formula | C21H18O8 |
IUPAC Name | (1r,11r,12r,15r)-11-(1,3-benzodioxol-5-yl)-15-(hydroxymethyl)-3-methoxy-5,7,14-trioxatetracyclo[10.2.1.0 2,10 .0 4,8 ]pentadeca-2(10),3,8-trien-13-one |
Molecular Mass | 398.363 g·mol−1 |
Heat of Formation | -973.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.44 ± 1.08 D |
Volume | 424.35 Å 3 |
Surface Area | 353.25 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | ROTFEJQWSQLKSJ-QOQPWIFLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |