(1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5,11-Dihydroxy-13-(Hydroxymethyl)-9,16-Dimethyl-8-(2-Oxo-2H-Pyran-5-Yl)-15,17,20-Trioxahexacyclo[14.3.1.1~14,18~.0~1,13~.0~4,12~.0~5,9~]Henicosan-10-One
Properties
Property | Value |
---|---|
Formula | C26H32O9 |
IUPAC Name | (1s,4r,5s,8r,9r,12s,13r,14r,16r,18s)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(2-oxo-2h-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.1 14,18 .0 1,13 .0 4,12 .0 5,9 ]henicosan-10-one |
Molecular Mass | 488.527 g·mol−1 |
Heat of Formation | -1611.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.63 ± 1.08 D |
Volume | 530.99 Å 3 |
Surface Area | 393.07 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | 2.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | GWAJSVNDQHKYPG-XOGNUPMYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |