| SpectraBase Compound ID | 8owNP0r5J87 |
|---|---|
| InChI | InChI=1S/C31H54O3/c1-8-23(20(2)3)10-9-21(4)31(33)18-15-28-26-12-11-24-19-25(34-22(5)32)13-16-29(24,6)27(26)14-17-30(28,31)7/h20-21,23-28,33H,8-19H2,1-7H3/t21-,23?,24+,25+,26?,27?,28?,29+,30+,31+/m1/s1 |
| InChIKey | UUVLHGGMXZYMMD-GXOKEHKNSA-N |
| Mol Weight | 474.8 g/mol |
| Molecular Formula | C31H54O3 |
| Exact Mass | 474.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXj1Xomimbv |
|---|---|
| Name | 17.alpha.-Hydroxy-5.alpha.-stigmastan-3.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.407295596 u |
| Formula | C31H54O3 |
| InChI | InChI=1S/C31H54O3/c1-8-23(20(2)3)10-9-21(4)31(33)18-15-28-26-12-11-24-19-25(34-22(5)32)13-16-29(24,6)27(26)14-17-30(28,31)7/h20-21,23-28,33H,8-19H2,1-7H3/t21-,23?,24+,25+,26?,27?,28?,29+,30+,31+/m1/s1 |
| InChIKey | UUVLHGGMXZYMMD-GXOKEHKNSA-N |
| Molecular Weight | 474.770 g/mol |
| SMILES | [C@@]12([C@](CCC2C2CC[C@@]3([C@@](C2CC1)(CC[C@](OC(=O)C)(C3)[H])C)[H])([C@@](CCC(C(C)C)CC)(C)[H])O)C |