| Formula |
C21H32O3 |
| IUPAC Name |
2-hydroxy-1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone |
| Molecular Mass |
332.477 g·mol−1 |
| Heat of Formation |
-680.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.66 ± 1.08 D |
| Volume |
426.94 Å 3 |
| Surface Area |
339.08 Å 2 |
| HOMO Energy |
-9.38 ± 0.55 eV |
| LUMO Energy |
0.51 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-hydroxy-1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
- 3beta,21-dihydroxypregn-5-en-20-one
|
| CAS Number(s) |
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| InChIKey |
MOIQRAOBRXUWGN-WPWXJNKXSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
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