Formula |
C22H36O4 |
IUPAC Name |
(5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoic acid |
Molecular Mass |
364.519 g·mol−1 |
Heat of Formation |
-949.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.69 ± 1.08 D |
Volume |
501.62 Å 3 |
Surface Area |
432.56 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
3.74 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]valeric acid
|
CAS Number(s) |
|
InChIKey |
VKPYUUBEDXIQIB-QBPWRKFFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|