(5β,25R)-Spirostan-3-One
Properties
Property | Value |
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Formula | C27H42O3 |
IUPAC Name | (1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-one |
Molecular Mass | 414.621 g·mol−1 |
Heat of Formation | -823.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.80 ± 1.08 D |
Volume | 535.04 Å 3 |
Surface Area | 410.74 Å 2 |
HOMO Energy | -9.69 ± 0.55 eV |
LUMO Energy | 1.04 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CIBAPVLFORANSS-OBOJVYGLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |