| SpectraBase Compound ID | JZsPItUhD7Y |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(33-22(4)31)14-17-30(23,19-32-6)28(25)15-16-29(26,27)5/h10,20-21,24-28H,7-9,11-19H2,1-6H3/t21-,24+,25+,26-,27+,28+,29-,30-/m1/s1 |
| InChIKey | VATTZKXEVIXTCP-WTTFBDAUSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NCnFnNMrpR |
|---|---|
| Name | Cholest-5-en-3-ol, 19-methoxy-, acetate, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(33-22(4)31)14-17-30(23,19-32-6)28(25)15-16-29(26,27)5/h10,20-21,24-28H,7-9,11-19H2,1-6H3/t21-,24+,25+,26-,27+,28+,29-,30-/m1/s1 |
| InChIKey | VATTZKXEVIXTCP-WTTFBDAUSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])COC)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |