| SpectraBase Compound ID | CCZVuREwpml |
|---|---|
| InChI | InChI=1S/C24H40O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h15-21,25H,5-14H2,1-4H3/t15-,16-,17+,18+,19+,20-,21-,23+,24+/m1/s1 |
| InChIKey | LESXNXVEUKDTPK-OCTYNESTSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C24H40O3 |
| Exact Mass | 376.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89BNfK9CYQu |
|---|---|
| Name | 20Beta,21-(isopropylidenedioxy)-5beta-pregnan-3alpha-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.297745145 u |
| Formula | C24H40O3 |
| InChI | InChI=1S/C24H40O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h15-21,25H,5-14H2,1-4H3/t15-,16-,17+,18+,19+,20-,21-,23+,24+/m1/s1 |
| InChIKey | LESXNXVEUKDTPK-OCTYNESTSA-N |
| Molecular Weight | 376.581 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@]1(COC(O1)(C)C)[H])[H])C)[H])C)[H] |