| SpectraBase Compound ID | 5gYjpcq5t6h |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | F0PPwCkZCpG |
|---|---|
| Name | 5beta-Pregnane-3a,17a,20a-triol |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 287024 |
| CAS Registry Number | 1098-45-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 3a,17a,20a-Trihydroxy-5beta-pregnane, Pregnanetriol |
| Wiley ID | SIAL_13CNMR_005446 |