| SpectraBase Compound ID | 4xEmoCoMIIs |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h22,25-28H,4-21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1 |
| InChIKey | KTROUBQZLCALOQ-DQUDHZTESA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HABItouBxCj |
|---|---|
| Name | 4-Androsten-17B-ol-3-one laurate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.375995467 u |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h22,25-28H,4-21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1 |
| InChIKey | KTROUBQZLCALOQ-DQUDHZTESA-N |
| Molecular Weight | 470.738 g/mol |
| SMILES | C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=CC(C1)=O)[H])[H])(OC(CCCCCCCCCCC)=O)[H])C)[H])C |