| SpectraBase Compound ID | 68A79n7hkNa |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-5-16(2)19-6-7-20-23-21(9-11-25(19,20)4)24(3)10-8-18(28-14-26)12-17(24)13-22(23)29-15-27/h5,14-23H,1,6-13H2,2-4H3/t16-,17+,18-,19-,20+,21+,22+,23+,24+,25-/m1/s1 |
| InChIKey | DYXQAZCKYLHXKL-XYHYYJOSSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IoeB8CXSBS |
|---|---|
| Name | 24-nor-5Beta-chol-22-ene-3alpha,7beta-diol, diformate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.277009700 u |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-5-16(2)19-6-7-20-23-21(9-11-25(19,20)4)24(3)10-8-18(28-14-26)12-17(24)13-22(23)29-15-27/h5,14-23H,1,6-13H2,2-4H3/t16-,17+,18-,19-,20+,21+,22+,23+,24+,25-/m1/s1 |
| InChIKey | DYXQAZCKYLHXKL-XYHYYJOSSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | C1[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](C=C)(C)[H])(CC[C@]4([C@@]3([C@](C[C@@]2(C[C@@](C1)(OC=O)[H])[H])(OC=O)[H])[H])[H])[H])C)[H])C |