Formula |
C29H40O9 |
IUPAC Name |
[2a(2s,3s,4s,6r),3b,5a]-14-hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2h-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide |
Molecular Mass |
532.622 g·mol−1 |
Heat of Formation |
-1683.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.77 ± 1.08 D |
Volume |
614.7 Å 3 |
Surface Area |
467.53 Å 2 |
HOMO Energy |
-9.87 ± 0.55 eV |
LUMO Energy |
2.79 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- card-20(22)-enolide, 14-hydroxy-19-oxo-3,2-((tetrahydro-3,4-dihydroxy-6-methyl-2h-pyran-2,3-diyl)bis(oxy))-, (2alpha(2s,4s,6r),3beta,5alpha)-
- cardenolide
- pecilocerin a
- pekilocerin a
|
CAS Number(s) |
|
InChIKey |
OWPWFVVPBYFKBG-NYVHBPEFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|