Methyl (1R,3R,4R,14R,18R)-15,19-Dihydroxy-18-(Hydroxymethyl)-14-Methyl-12-Azahexacyclo[10.6.1.1~1,4~.0~7,20~.0~10,18~.0~15,19~]Icosa-7(20),16-Diene-3-Carboxylate
Properties
Property | Value |
---|---|
Formula | C23H31NO5 |
IUPAC Name | methyl (1r,3r,4r,10s,14r,15s,18r,19s)-15,19-dihydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1 1,4 .0 7,20 .0 10,18 .0 15,19 ]icosa-7(20),16-diene-3-carboxylate |
Molecular Mass | 401.496 g·mol−1 |
Heat of Formation | -820.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.12 ± 1.08 D |
Volume | 460.92 Å 3 |
Surface Area | 346.51 Å 2 |
HOMO Energy | -8.55 ± 0.55 eV |
LUMO Energy | 0.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | STEHXMPTKMFKML-MXJQEVSQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |