| SpectraBase Compound ID | A0Y29YqVJE3 |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-28H,8-18H2,1-7H3/t20?,21-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | CVXQLNHSKSSFSQ-VDKZBWNOSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBT92kaVnyv |
|---|---|
| Name | 3.beta.-Acetoxy-24.epsilon.-methyl-5.alpha.-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-28H,8-18H2,1-7H3/t20?,21-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | CVXQLNHSKSSFSQ-VDKZBWNOSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(C(C)C)C)(C)[H])[H])[H])C |