(1R,3As,3Br,5As,7R,8As,8Br,10As)-1,7-Diethynyl-10A-Methylhexadecahydrodicyclopenta[A,F]Naphthalene-1,7-Diyl Dipropanoate
Properties
Property | Value |
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Formula | C27H36O4 |
IUPAC Name | [(2r,3as,3br,5as,6r,8as,8br,10as)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1h-indeno[5,4-e]inden-6-yl] propanoate |
Molecular Mass | 424.572 g·mol−1 |
Heat of Formation | -492.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.24 ± 1.08 D |
Volume | 504.4 Å 3 |
Surface Area | 407.51 Å 2 |
HOMO Energy | -10.14 ± 0.55 eV |
LUMO Energy | 1.03 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | JJKGZDJEKZMGTD-QVNHYCNFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |