| SpectraBase Compound ID | 2dwsB4Y5soP |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-15-25(30)24-13-19(29)14-26(31)28(24,6)23(20)11-12-27(21,22)5/h7-8,16,18-24,26,29,31H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19-,20+,21-,22+,23+,24-,26+,27-,28-/m1/s1 |
| InChIKey | SMIJQQDUOZGITI-ROUJNYGZSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kiu7FiCFxYT |
|---|---|
| Name | GIBBEROKETOSTEROL_CC0C2;5-ALPHA-H-24-METHYLENE-CHOLEST-22-E-ENE-1-ALPHA,3-BETA-DIOL-6-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-15-25(30)24-13-19(29)14-26(31)28(24,6)23(20)11-12-27(21,22)5/h7-8,16,18-24,26,29,31H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19-,20+,21-,22+,23+,24-,26+,27-,28-/m1/s1 |
| InChIKey | SMIJQQDUOZGITI-ROUJNYGZSA-N |
| Literature Reference Author | A.F.AHMED,Y.T.HSIEH,Z.H.WEN,Y.C.WU,J.H.SHEU |
| Literature Reference Citation | J.NAT.PROD.,69,1275(2006) |
| Literature Reference DOI | 10.1021/np0601509 |
| Molecular Weight | 428.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15446 |