| SpectraBase Spectrum ID |
JBPSr9fRphO |
| Name |
PREGN-4-ENE-3,20-DIONE, 11-HYDROXY-, (11.ALPHA.)- |
| CAS Registry Number |
80-75-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey |
BFZHCUBIASXHPK-QJSKAATBSA-N |
| Molecular Weight |
330.468 g/mol |
| Nominal Mass |
330 u |
| Number of Peaks |
292 |
| SMILES |
O[C@@]1(C[C@@]2([C@](CC[C@]2([C@@]2(CCC3=CC(CC[C@@]3([C@@]12[H])C)=O)[H])[H])(C(C)=O)[H])C)[H] |
| SPLASH |
splash10-006x-6921000000-cd7469b458ca57d6d61c |
| Source File Reference |
LMCM-86806-537Z |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
11-HYDROXYPREGN-4-ENE-3,20-DIONE
(1S,2R,10S,11S,14S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one |
| Wiley ID |
8_39886 |
