| SpectraBase Compound ID | 7onTBJD7oNG |
|---|---|
| InChI | InChI=1S/C27H40O3Si/c1-26-15-14-19(30-31(3,4)20-8-6-5-7-9-20)16-18(26)10-11-21-22-12-13-24(29)27(22,2)17-23(28)25(21)26/h5-9,18-19,21-22,24-25,29H,10-17H2,1-4H3/t18-,19+,21-,22-,24-,25+,26-,27-/m0/s1 |
| InChIKey | NWMBQIWVJHLGBH-ACJLLPTISA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H40O3Si |
| Exact Mass | 440.274672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxJzUbln3RD |
|---|---|
| Name | 3.alpha.-(Dimethylphenylsiloxy)-17.beta.-hydroxy-5.alpha.-androstane-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.274671680 u |
| Formula | C27H40O3Si |
| InChI | InChI=1S/C27H40O3Si/c1-26-15-14-19(30-31(3,4)20-8-6-5-7-9-20)16-18(26)10-11-21-22-12-13-24(29)27(22,2)17-23(28)25(21)26/h5-9,18-19,21-22,24-25,29H,10-17H2,1-4H3/t18-,19+,21-,22-,24-,25+,26-,27-/m0/s1 |
| InChIKey | NWMBQIWVJHLGBH-ACJLLPTISA-N |
| Molecular Weight | 440.699 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O[Si](C=2C=CC=CC2)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1(O)[H])[H])C |