| SpectraBase Compound ID | AYDYRQOKq2L |
|---|---|
| InChI | InChI=1S/C26H40O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h5,7-8,16,19-24,28-29H,6,9-15H2,1-4H3/b7-5+/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1 |
| InChIKey | FEERVQIKRVCZGQ-UDHPZJEPSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C26H40O3 |
| Exact Mass | 400.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlBtL2tfCKm |
|---|---|
| Name | 27-Norcholesta-5,23-dien-25-one, 1,3-dihydroxy-, (1.alpha.,3.beta.,23E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.297745145 u |
| Formula | C26H40O3 |
| InChI | InChI=1S/C26H40O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h5,7-8,16,19-24,28-29H,6,9-15H2,1-4H3/b7-5+/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1 |
| InChIKey | FEERVQIKRVCZGQ-UDHPZJEPSA-N |
| Molecular Weight | 400.603 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](C\C=C\C(=O)C)(C)[H])[H])[H])[H])C[C@](C[C@@]1(O)[H])(O)[H])C |