| SpectraBase Compound ID | GNVEpyFQZ5u |
|---|---|
| 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/h16-17,19,21H,5-13H2,1-4H3/t16-,17+,19-,21+,22+,23-/m1/s1 |
| InChIKey | HXAMWRXTQSXQGT-SVUIXGPKSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2PbqDRmIQef |
|---|---|
| Name | Pregn-8(14)-en-20-one, 3-(acetyloxy)-, (3.beta.,5.beta.)- |
| CAS Registry Number | 71472-87-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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/h16-17,19,21H,5-13H2,1-4H3/t16-,17+,19-,21+,22+,23-/m1/s1 |
| InChIKey | HXAMWRXTQSXQGT-SVUIXGPKSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | C=12[C@@]([C@@](C(=O)C)(CC2)[H])(CC[C@@]2([C@]3(CC[C@](OC(=O)C)(C[C@]3(CCC12)[H])[H])C)[H])C |
| SPLASH | splash10-052b-0494000000-9653108b887b2b7814d1 |
| Source of Spectrum | K-112-2696-0 |
| Synonyms | (3beta,5beta)-20-oxopregn-8(14)-en-3-yl acetate 3.beta.-acetoxy-5.beta.-pregnan-8(14)-en-20-one Acetic acid[(3S,5R,9R,10S,13R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,5R,9R,10S,13R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,5R,9R,10S,13R,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,5R,9R,10S,13R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,9R,10S,13R,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1347401 |