| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2McRRH1zlz |
|---|---|
| Name | Pregna-1,4,6-trien-3-one, 21-(acetyloxy)-20-methyl-, (20S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.235144887 u |
| 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 |