| SpectraBase Compound ID | B2CHFiCTGEQ |
|---|---|
| InChI | InChI=1S/C24H34O4/c1-4-28-21(26)8-5-15-13-20-18-7-6-16-14-17(25)9-11-23(16,2)19(18)10-12-24(20,3)22(15)27/h5-6,17-20,25H,4,7-14H2,1-3H3/b15-5+/t17-,18?,19?,20?,23-,24-/m0/s1 |
| InChIKey | VIRIOMSVNNYVCA-MTFLWJOGSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C24H34O4 |
| Exact Mass | 386.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsePqVpL88O |
|---|---|
| Name | Androstane, propanoic acid deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.245709571 u |
| Formula | C24H34O4 |
| InChI | InChI=1S/C24H34O4/c1-4-28-21(26)8-5-15-13-20-18-7-6-16-14-17(25)9-11-23(16,2)19(18)10-12-24(20,3)22(15)27/h5-6,17-20,25H,4,7-14H2,1-3H3/b15-5+/t17-,18?,19?,20?,23-,24-/m0/s1 |
| InChIKey | VIRIOMSVNNYVCA-MTFLWJOGSA-N |
| Molecular Weight | 386.532 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](O)(C4)[H])C)C\C(C1=O)=C/CC(=O)OCC)C |