| SpectraBase Compound ID | IQI75wSWQvj |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-18-12-14-29(6)16-17-30(7)21(24(29)19(18)2)10-11-23-31(30,8)15-13-22-28(4,5)27(36-20(3)33)25(34)26(35)32(22,23)9/h10,18-19,22-27,34-35H,11-17H2,1-9H3/t18-,19+,22?,23+,24+,25-,26-,27-,29-,30-,31-,32+/m1/s1 |
| InChIKey | WPKDREFDVDSMNK-JNOQZZNASA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hv5OtLwRcwg |
|---|---|
| Name | 3.alpha.-Acetoxy-urs-12-ene-1.beta.,2.alpha.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.386560150 u |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-18-12-14-29(6)16-17-30(7)21(24(29)19(18)2)10-11-23-31(30,8)15-13-22-28(4,5)27(36-20(3)33)25(34)26(35)32(22,23)9/h10,18-19,22-27,34-35H,11-17H2,1-9H3/t18-,19+,22?,23+,24+,25-,26-,27-,29-,30-,31-,32+/m1/s1 |
| InChIKey | WPKDREFDVDSMNK-JNOQZZNASA-N |
| Molecular Weight | 500.764 g/mol |
| SMILES | [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5([C@](C4=CC3)([C@]([C@@](CC5)(C)[H])(C)[H])[H])C)C)(C)CCC1C(C)(C)[C@@]([C@@]([C@]2(O)[H])(O)[H])(OC(=O)C)[H])[H])C |