| SpectraBase Compound ID | Cj1D8aZRfPl |
|---|---|
| InChI | InChI=1S/C24H32O3/c1-3-4-5-6-23(26)27-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(2)21(20)11-12-22(24)25/h8,10,15,19-21H,3-7,9,11-14H2,1-2H3 |
| InChIKey | KAUHLUBURUDAPE-UHFFFAOYSA-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 | AiTmYFaSrwD |
|---|---|
| Name | Estrone, hexanoate |
| 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/c1-3-4-5-6-23(26)27-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(2)21(20)11-12-22(24)25/h8,10,15,19-21H,3-7,9,11-14H2,1-2H3 |
| InChIKey | KAUHLUBURUDAPE-UHFFFAOYSA-N |
| Molecular Weight | 368.517 g/mol |
| SMILES | CC12C(C3CCC=4C(C3CC1)=CC=C(C4)OC(CCCCC)=O)CCC2=O |