| SpectraBase Spectrum ID |
39VYrjqHJ4X |
| Name |
5.ALPHA.-PREGNANE |
| CAS Registry Number |
641-85-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
288.281701159 u |
| Formula |
C21H36 |
| InChI |
InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1 |
| InChIKey |
JWMFYGXQPXQEEM-GCOKGBOCSA-N |
| Molecular Weight |
288.519 g/mol |
| Nominal Mass |
288 u |
| Number of Peaks |
60 |
| SMILES |
C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(CC)[H])C)[H])C |
| SPLASH |
splash10-014i-8590000000-ac008fa7243127c5b2a9 |
| Source File Reference |
LMCM-27708-276E |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
PREGNANE
(5R,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene |
| Wiley ID |
4_2075 |
