| SpectraBase Compound ID | 1T22JvIykMY |
|---|---|
| InChI | InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,18,20-27,30H,9-17H2,1-7H3/b19-8-/t20-,21+,22+,23-,24?,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | KWLPSAZUNJBGKE-MOXWVKPTSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUuo33dW6nV |
|---|---|
| Name | 4.alpha.-Methylergost-23(Z)-en-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.386166229 u |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,18,20-27,30H,9-17H2,1-7H3/b19-8-/t20-,21+,22+,23-,24?,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | KWLPSAZUNJBGKE-MOXWVKPTSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](C\C=C/(C(C)C)C)(C)[H])[H])[H])([H])CCC2[C@](C)([C@](CC1)(O)[H])[H])[H])C |