(3β)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}Lup-20(29)-En-28-Oic Acid
Properties
Property | Value |
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Formula | C39H54O6 |
IUPAC Name | (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
Molecular Mass | 618.842 g·mol−1 |
Heat of Formation | -1203.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.37 ± 1.08 D |
Volume | 767.31 Å 3 |
Surface Area | 578.7 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.22 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | MNUNUJQYFJZRHQ-VZLLCJDWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |