| SpectraBase Compound ID | BtVo5st7uC8 |
|---|---|
| InChI | InChI=1S/C29H48O/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/h8-9,18,20-27,30H,3,10-17H2,1-2,4-7H3/b9-8+/t20-,21+,22?,23-,24?,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | ORPPUKHNDXTVIT-NGGSPDTMSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GfWND4zXzj7 |
|---|---|
| Name | 4.alpha.-Methylergosta-22(E)-,24(28)-dien-3.beta.-ol |
| Alternate Name(s) | (3beta,4alpha,22E)-4-methylergosta-22,24(28)-dien-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/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/h8-9,18,20-27,30H,3,10-17H2,1-2,4-7H3/b9-8+/t20-,21+,22?,23-,24?,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | ORPPUKHNDXTVIT-NGGSPDTMSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]3(C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\C(=C)C(C)C)(C)[H])[H])[H])CCC2[C@@]1(C)[H])[H])C)[H] |
| SPLASH | splash10-0019-4983000000-0022281d1bbffc90c51e |
| Source of Spectrum | J-56-2362-0 |
| Wiley ID | 1374854 |