| SpectraBase Spectrum ID |
B0iO15OQ3JA |
| Name |
5.ALPHA.PREGNANE-3,20-DIONE |
| CAS Registry Number |
566-65-4 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
XMRPGKVKISIQBV-BJMCWZGWSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
257 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(C(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-00l6-9541000000-be1bf90c490307724f47 |
| Source File Reference |
LMCM-38598-846V |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
PREGNANE-3,20-DIONE, (5.ALPHA.)-
PREGNANE-3,20-DIONE
(1S,2S,7S,10R,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one |
| Wiley ID |
8_30539 |
