| SpectraBase Compound ID | 57s5VbOM8Kz |
|---|---|
| InChI | InChI=1S/C26H40O3/c1-6-13-26(5,28)23-10-9-21-20-8-7-18-16-19(29-17(2)27)11-14-24(18,3)22(20)12-15-25(21,23)4/h6-7,19-23,28H,1,8-16H2,2-5H3/t19-,20-,21-,22-,23-,24-,25-,26?/m0/s1 |
| InChIKey | VJNRJMNTINMETI-BYBKDHMRSA-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 | GeeJ7GBXbad |
|---|---|
| Name | 3.beta.-Acetoxy-20-allyl-5-pregnen-20-ol |
| 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/c1-6-13-26(5,28)23-10-9-21-20-8-7-18-16-19(29-17(2)27)11-14-24(18,3)22(20)12-15-25(21,23)4/h6-7,19-23,28H,1,8-16H2,2-5H3/t19-,20-,21-,22-,23-,24-,25-,26?/m0/s1 |
| InChIKey | VJNRJMNTINMETI-BYBKDHMRSA-N |
| Molecular Weight | 400.603 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(C(O)(CC=C)C)[H])[H])C |