| SpectraBase Spectrum ID |
9Uee9qirzwt |
| Name |
PREGN-5-EN-20-ONE, 3-(ACETYLOXY)-, (3.BETA.)- |
| CAS Registry Number |
1778-02-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.250794952 u |
| Formula |
C23H34O3 |
| InChI |
InChI=1S/C23H34O3/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/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1 |
| InChIKey |
CRRKVZVYZQXICQ-RJJCNJEVSA-N |
| Molecular Weight |
358.522 g/mol |
| Nominal Mass |
358 u |
| Number of Peaks |
172 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])(C(C)=O)[H])C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-0002-5950000000-0da3a08a1753d87f286e |
| Source File Reference |
LMCM-68104-885M |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(1S,2R,5S,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
20-HYDROXYPREGNA-5,14-DIEN-3-YL ACETATE |
| Wiley ID |
8_25914 |
