(3S,13R,17R,18R)-7,16,17-Trihydroxy-2,2-Dimethyl-10-Oxapentacyclo[14.2.1.0~3,12~.0~4,9~.0~13,18~]Nonadeca-4,6,8,11-Tetraen-14-One
Properties
Property | Value |
---|---|
Formula | C20H22O5 |
IUPAC Name | (3s,13r,17r,18r)-7,16,17-trihydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.0 3,12 .0 4,9 .0 13,18 ]nonadeca-4,6,8,11-tetraen-14-one |
Molecular Mass | 342.386 g·mol−1 |
Heat of Formation | -783.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.07 ± 1.08 D |
Volume | 388.35 Å 3 |
Surface Area | 309.1 Å 2 |
HOMO Energy | -8.66 ± 0.55 eV |
LUMO Energy | -0.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | AZKZPXFWTQSDET-ZMNKABNMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |