| SpectraBase Spectrum ID |
J3Pu2oZjLXQ |
| Name |
PREGN-16-EN-20-ONE, 3-(ACETYLOXY)-, (3.BETA.,5.BETA.)- |
| CAS Registry Number |
2601-07-2 |
| 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/h7,16-18,20-21H,5-6,8-13H2,1-4H3/t16-,17+,18+,20+,21+,22+,23-/m1/s1 |
| InChIKey |
YFMSIVMSEGIVCP-VLBJDTNOSA-N |
| Molecular Weight |
358.522 g/mol |
| Nominal Mass |
358 u |
| Number of Peaks |
214 |
| 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)C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-0006-9830000000-e29efca9f0a9fa5435bd |
| Source File Reference |
LMCM-90682-455Z |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
20-OXOPREGN-16-EN-3-YL ACETATE
(1S,2S,5S,7R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-13-en-5-yl acetate |
| Wiley ID |
8_30193 |
