| SpectraBase Compound ID | 1Haaz1ogbFh |
|---|---|
| InChI | InChI=1S/C24H38O3/c1-15(25)19-8-9-20-18-7-6-17-14-22(3,27-16(2)26)12-13-23(17,4)21(18)10-11-24(19,20)5/h17-21H,6-14H2,1-5H3/t17-,18-,19+,20-,21-,22+,23-,24+/m0/s1 |
| InChIKey | JJPOHBOOXHMWFQ-YWVVQUMHSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C24H38O3 |
| Exact Mass | 374.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gob9VfX7mSG |
|---|---|
| Name | Ganaxolone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.282095081 u |
| Formula | C24H38O3 |
| InChI | InChI=1S/C24H38O3/c1-15(25)19-8-9-20-18-7-6-17-14-22(3,27-16(2)26)12-13-23(17,4)21(18)10-11-24(19,20)5/h17-21H,6-14H2,1-5H3/t17-,18-,19+,20-,21-,22+,23-,24+/m0/s1 |
| InChIKey | JJPOHBOOXHMWFQ-YWVVQUMHSA-N |
| Molecular Weight | 374.565 g/mol |
| SMILES | [C@]1(CC[C@@]2(C)[C@](C1)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(C(C)=O)[H])[H])[H])[H])(C)OC(C)=O |