Sphaerococcenol A
Properties
| Property | Value |
|---|---|
| Formula | C20H29BrO2 |
| IUPAC Name | (4s,4as,4bs,8s,8as,10ar)-8a-(bromomethyl)-4-hydroxy-8-isopropyl-4,10a-dimethyl-4a,4b,7,8,9,10-hexahydrophenanthren-3-one |
| Molecular Mass | 381.347 g·mol−1 |
| Heat of Formation | -396.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.02 ± 1.08 D |
| Volume | 420.29 Å 3 |
| Surface Area | 319.43 Å 2 |
| HOMO Energy | -9.51 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | MLAJPUJSVVNEHK-SYVORCANSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br |