| Formula |
C21H26O2 |
| IUPAC Name |
(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one |
| Molecular Mass |
310.430 g·mol−1 |
| Heat of Formation |
-93.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.28 ± 1.08 D |
| Volume |
379.11 Å 3 |
| Surface Area |
302.24 Å 2 |
| HOMO Energy |
-9.80 ± 0.55 eV |
| LUMO Energy |
-0.01 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
- d04316
- gestodene
- gestodene (usan)
- sh-546
- shb-331
- sht-546
|
| InChIKey |
SIGSPDASOTUPFS-XUDSTZEESA-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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