(2R,2As,4Ar,7Ar,7Br)-3-Formyl-2A,4A-Dihydroxy-6,6,7B-Trimethyl-2,2A,4A,5,6,7,7A,7B-Octahydro-1H-Cyclobuta[E]Inden-2-Yl 2,4-Dihydroxy-6-Methylbenzoate
Properties
Property | Value |
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Formula | C23H28O7 |
IUPAC Name | [(2r,2as,4ar,7ar,7br)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1h-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methyl-benzoate |
Molecular Mass | 416.464 g·mol−1 |
Heat of Formation | -1212.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.05 ± 1.08 D |
Volume | 490.45 Å 3 |
Surface Area | 379.86 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | -0.58 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CXDPJDYGYSRNDR-MTJRIOAFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |