| SpectraBase Compound ID | 4LU2mz4hPtS |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-18(2)30(7,33)15-10-19(3)23-8-9-24-22-17-27(32)26-16-21(34-20(4)31)11-13-29(26,6)25(22)12-14-28(23,24)5/h18-19,21-26,33H,8-17H2,1-7H3/t19-,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 |
| InChIKey | HBFBOPKXRDWZST-ZMQUBKFTSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALXC1LMuSAl |
|---|---|
| Name | (24S)-3.beta.-Acetoxy-24-hydroxy-24-methyl-5.alpha.-cholestan-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.370910086 u |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-18(2)30(7,33)15-10-19(3)23-8-9-24-22-17-27(32)26-16-21(34-20(4)31)11-13-29(26,6)25(22)12-14-28(23,24)5/h18-19,21-26,33H,8-17H2,1-7H3/t19-,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 |
| InChIKey | HBFBOPKXRDWZST-ZMQUBKFTSA-N |
| Molecular Weight | 474.726 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CC[C@@](C(C)C)(O)C)(C)[H])[H])[H])([H])CC([C@]2(C[C@@](OC(=O)C)(CC1)[H])[H])=O)[H])C |