| SpectraBase Compound ID | 8TEGHnNzKvJ |
|---|---|
| InChI | InChI=1S/C24H32O3/c1-15(14-27-16(2)25)20-7-8-21-19-6-5-17-13-18(26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5-6,9,11,13,15,19-22H,7-8,10,12,14H2,1-4H3/t15-,19+,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | ZRSJJJRBWUSCPF-QMIPSKNFSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C24H32O3 |
| Exact Mass | 368.235145 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 | B2dVgnQPzYO |
|---|---|
| Name | Pregna-1,4,6-trien-3-one, 21-(acetyloxy)-20-methyl-, (20S)- |
| CAS Registry Number | 66875-14-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O3 |
| InChI | InChI=1S/C24H32O3/c1-15(14-27-16(2)25)20-7-8-21-19-6-5-17-13-18(26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5-6,9,11,13,15,19-22H,7-8,10,12,14H2,1-4H3/t15-,19+,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | ZRSJJJRBWUSCPF-QMIPSKNFSA-N |
| Molecular Weight | 368.517 g/mol |
| SMILES | [C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](COC(=O)C)(C)[H])[H])[H])[H])=CC(C=C2)=O)C |
| SPLASH | splash10-055f-8911000000-95de6c53d359e68ecb69 |
| Source of Spectrum | H-64-1884-0 |
| Synonyms | (20S)-21-acetoxy-20-methyl-1,4,6-pregnatrien-3-one (2S)-2-[(1S,2R,10S,11S,14R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6,8-trien-14-yl]propyl acetate Acetic acid [(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]propyl] ester [(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]propyl] acetate [(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]propyl] ethanoate |
| Wiley ID | 1353354 |