| SpectraBase Spectrum ID |
9DqOCPSAzwf |
| Name |
5.BETA.-PREGNAN-20-ONE, 3.BETA.-HYDROXY-, ACETATE |
| CAS Registry Number |
2394-44-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,23-/m1/s1 |
| InChIKey |
GFHOQCXDABGYAL-AOUZBUNXSA-N |
| Molecular Weight |
360.538 g/mol |
| Nominal Mass |
360 u |
| Number of Peaks |
192 |
| SMILES |
[C@]1(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)(OC(C)=O)[H] |
| SPLASH |
splash10-0006-9621000000-2f1394af1dabd676bb0f |
| Source File Reference |
LMCM-12401-434D |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
20-OXOPREGNAN-3-YL ACETATE
(1S,2S,5S,7R,10R,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate |
| Wiley ID |
8_30194 |
