Formula |
C16H12O7 |
IUPAC Name |
methyl 7-hydroxy-3-(hydroxymethyl)-6-oxo-oxepino[2,3-b]chromene-5-carboxylate |
Molecular Mass |
316.262 g·mol−1 |
Heat of Formation |
-881.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.76 ± 1.08 D |
Volume |
331.44 Å 3 |
Surface Area |
296.64 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.21 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 7-hydroxy-3-(hydroxymethyl)-6-oxo-5-oxepino[2,3-b]chromenecarboxylic acid methyl ester
- 7-hydroxy-6-keto-3-methylol-oxepino[2,3-b]chromene-5-carboxylic acid methyl ester
- fusidienol
- methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate
|
CAS Number(s) |
|
InChIKey |
LJNGMSGIOXTZLN-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|